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Workload-Adaptive Scheduling for Efficient Use of Parallel File Systems in High-Performance Computing Clusters

Proceedings of SC 2024-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis

Goponenko, Alexander V.; Allan, Benjamin A.; Brandt, James M.; Dechev, Damian

Whereas contentions within storage systems noticeably impact runtimes, shared bandwidth-type resources, such as Lustre, pose challenges for high-performance computing cluster schedulers. Additionally, accurately estimating job resource requirements, particularly related to I/O operations, remains a significant challenge for users. In response to these challenges, we have developed a prototype that facilitates I/O-aware scheduling in Slurm without imposing additional burdens on users. Accounting for the specific properties of this bandwidth-type resource, our system monitors real-time Lustre bandwidth utilization, estimates job I/O requirements, and dynamically adjusts to the demands placed on the file system. Our workload-adaptive scheduler aims to maintain the bandwidth utilization at a level that reflects the resource requirement of the job queue. We further enhance the efficacy of our approach by introducing a "two-group"approximation technique that ensures efficient performance regardless of the availability of zero-throughput jobs. We demonstrate effectiveness of our approach through evaluation on a real cluster.

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Understanding the interplay between pilot fuel mixing and auto-ignition chemistry in hydrogen-enriched environment

Proceedings of the Combustion Institute

Lee, Taesong; Rajasegar, Rajavasanth; Srna, Ales

The diesel-piloted dual-fuel compression ignition combustion strategy is well-suited to accelerate the decarbonization of transportation by adopting hydrogen as a renewable energy carrier into the existing internal combustion engine with minimal engine modifications. Despite the simplicity of engine modification, many questions remain unanswered regarding the optimal pilot injection strategy for reliable ignition with minimum pilot fuel consumption. The present study uses a single-cylinder heavy-duty optical engine to explore the phenomenology and underlying mechanisms governing the pilot fuel ignition and the subsequent combustion of a premixed hydrogen-air charge. The engine is operated in a dual-fuel mode with hydrogen premixed into the engine intake charge with a direct pilot injection of n-heptane as a diesel pilot fuel surrogate. Optical diagnostics used to visualize in-cylinder combustion phenomena include high-speed IR imaging of the pilot fuel spray evolution as well as high-speed HCHO* and OH* chemiluminescence as indicators of low-temperature and high-temperature heat release, respectively. Three pilot injection strategies are compared to explore the effects of pilot fuel mass, injection pressure, and injection duration on the probability and repeatability of successful ignition. The thermodynamic and imaging data analysis supported by zero-dimensional chemical kinetics simulations revealed a complex interplay between the physical and chemical processes governing the pilot fuel ignition process in a hydrogen containing charge. Hydrogen strongly inhibits the ignition of pilot fuel mixtures and therefore requires longer injection duration to create zones with sufficiently high pilot fuel concentration for successful ignition. Results show that ignition typically tends to rely on stochastic pockets with high pilot fuel concentration, which results in poor repeatability of combustion and frequent misfiring. This work has improved the understanding on how the unique chemical properties of hydrogen pose a challenge for maximization of hydrogen's energy share in hydrogen dual-fuel engines and highlights a potential mitigation pathway.

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Reliability of the Future Smart Grid and the Role of Energy Storage

2024 International Symposium on Power Electronics, Electrical Drives, Automation and Motion, SPEEDAM 2024

Byrne, Raymond H.; Bera, Atri; Nguyen, Tu A.

The electric power grid is in a state of transition with increasing penetrations of inverter based resources. With power electronics becoming more capable and less expensive, power flow control devices like solid state transformers will become more prevalent. While the advanced capabilities of solid state transformers will improve stability and enable new control approaches, the reliability of solid state transformers will have to be very high to maintain the reliability of the grid today. This paper employs the IEEE 34-bus test feeder configured to represent a future smart grid to explore the impacts of solid state transformers at each node, as well as opportunities for energy storage to improve reliability.

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Simulated Performance Effect of Torque Tube Twisting in Single-Axis Tracking PV Arrays

Conference Record of the IEEE Photovoltaic Specialists Conference

Anderson, Kevin S.; Hansen, Clifford

Single-axis solar trackers are typically simulated under the assumption that all modules on a given section of torque tube are at a single orientation. In reality, various mechanical effects can cause twisting along the torque tube length, creating variation in module orientation along the row. Simulation of the impact of this on photovoltaic system performance reveals that the performance loss resulting from torque tube twisting is significant at twists as small as fractions of a degree per module. The magnitude of the loss depends strongly on the design of the photovoltaic module, but does not vary significantly across climates. Additionally, simple tracker control setting tweaks were found to substantially reduce the loss for certain types of twist.

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Recent Advances in Functional Data Analysis for Electronic Device Data

IEEE Electron Devices Technology and Manufacturing Conference: Strengthening the Globalization in Semiconductors, EDTM 2024

Adams, Jason R.; Berman, Brandon; Buchheit, Thomas; Llosa, Carlos; Reza, Shahed

Accurate understanding of the behavior of commercial-off-the-shelf electrical devices is important in many applications. This paper discusses methods for the principled statistical analysis of electrical device data. We present several recent successful efforts and describe two current areas of research that we anticipate will produce widely applicable methods. Because much electrical device data is naturally treated as functional, and because such data introduces some complications in analysis, we focus on methods for functional data analysis.

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On Coordinate Encoding in Multifidelity Neural Networks

AIAA SciTech Forum and Exposition, 2024

Villatoro, Cristian; Geraci, Gianluca; Schiavazzi, Daniele E.

Multifidelity emulators have found wide-ranging applications in both forward and inverse problems within the computational sciences. Thanks to recent advancements in neural architectures, they provide significant flexibility for integrating information from multiple models, all while retaining substantial efficiency advantages over single-fidelity methods. In this context, existing neural multifidelity emulators operate by separately resolving the linear and nonlinear correlation between equally parameterized high-and low-fidelity approximants. However, many complex models ensembles in science and engineering applications only exhibit a limited degree of linear correlation between models. In such a case, the effectiveness of these approaches is impeded, i.e., larger datasets are needed to obtain satisfactory predictions. In this work, we present a general strategy that seeks to maximize the linear correlation between two models through input encoding. We showcase the effectiveness of our approach through six numerical test problems, and we show the ability of the proposed multifidelity emulator to accurately recover the high-fidelity model response under an increasing number of quasi-random samples. In our experiments, we show that input encoding produces in many cases emulators with significantly simpler nonlinear correlations. Finally, we demonstrate how the input encoding can be leveraged to facilitate the fusion of information between low-and high-fidelity models with dissimilar parametrization, i.e., situations in which the number of inputs is different between low-and high-fidelity models.

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Enhanced Geothermal Site Characterization using Generative Adversarial Network and Ensemble Method

58th US Rock Mechanics / Geomechanics Symposium 2024, ARMA 2024

Bao, Jichao; Lee, Jonghyun; Yoon, Hongkyu

Characterizing the subsurface properties such as permeability and thermal conductivity is important for stimulation planning and heat production in enhanced geothermal systems (EGS). Data assimilation methods, such as the Kalman-type methods, are widely used for characterization by assimilating observed dynamic data such as pressure and temperature. However, these approaches only perform well when the parameters follow a Gaussian distribution. The geothermal sites are usually highly heterogeneous with non-Gaussian distributed complex structures such as faults and fractures, which are difficult to characterize. Over the past few years, emerging deep generative models and their impressive applications in different tasks have provided a solution to produce images with complicated features. In this work, we use the Wasserstein Generative Adversarial Network (WGAN), a deep generative model, to generate fractured images from the low-dimensional and Gaussian distributed latent space. The ensemble method, a Kalman-type data assimilation method, is then applied to the latent variables to characterize the permeability fields of a fractured geothermal site using temperature data. A synthetic two-dimensional example is presented to show the performance of our approach.

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Equivalencing of Sine-Sweep and Random Vibration Specification with Considerations of Nonlinear Statistics

Conference Proceedings of the Society for Experimental Mechanics Series

Maji, Arup

Comparison of pure sinusoidal vibration to random vibration or combinations of the two is an important and useful subject for dynamic testing. The objective of this chapter is to succinctly document the technical background for converting a sine-sweep test specification into an equivalent random vibration test specification. The information can also be used in reverse, i.e., to compare a random vibe spec with a sine-sweep, although that is less common in practice. Because of inherent assumptions involved in such conversions, it is always preferable to test to original specifications and conduct this conversion when other options are impractical. This chapter outlines the theoretical premise and relevant equations. An example of implementation with hypothetical but realistic data is provided that captures the conversion of a sinusoid to an equivalent ASD. The example also demonstrates how to account for the rate of sine-sweep to the duration of the random vibration. A significant content of this chapter is the discussion on the statistical distribution of peaks in a narrow-band random signal and the consequences of that on the damage imparted to a structure. Numerical simulations were carried out to capture the effect of various combinations of narrow-band random and pure sinusoid superimposed on each other. The consequences of this are captured to provide guidance on accuracy and conservatism.

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BALANCING CONCENTRATING SOLAR POWER AND THERMAL STORAGE WITH PHOTOVOLTAICS AND BATTERY STORAGE TO MEET CARBON-FREE ELECTRICITY AND RESILIENCE GOALS

Proceedings of ASME 2024 18th International Conference on Energy Sustainability, ES 2024

Braid, Jennifer L.; Mclaughlin, Luke P.; Schroeder, Nathaniel R.; Laubscher, Hendrik F.; Sment, Jeremy N.I.; Stein, Joshua

Concentrating solar power (CSP) plants with integrated thermal energy storage (TES) have successfully been coupled with photovoltaics (PV) + chemical battery energy storage (BES) in recent commercial-scale projects to balance system cost and diurnal power availability. Sandia National Laboratories has been tasked with designing an advanced solar energy system to power Kirtland Air Force Base (KAFB) where Sandia is co-located in Albuquerque, NM, USA. This design process requires optimization of individual components and capacities of the hybrid system. Preliminary modeling efforts have shown that a hybrid CSP+TES/PV+BES in Albuquerque, NM is sufficient for net-zero power generation for Sandia/KAFB for the next decade. However, the ability to meet the load in real-time (and minimize energy export) requires balance of generation and storage assets. Our results also show that excess PV used to charge TES improves resilience and overall renewables-to-load for the system. Here we will present the results of a parametric study varying the land use proportions of CSP and PV, and TES and BES capacities. We evaluate the effects of these variables on energy generation, real-time load satisfaction, site resilience to grid outages, and LCOE, to determine viable hybrid solar energy designs and their cost implications.

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Nonlinear Dynamics, Continuation, and Stability Analysis of a Shaft-Bearing Assembly

Conference Proceedings of the Society for Experimental Mechanics Series

Saunders, Brian E.; Kuether, Robert J.; Vasconcellos, Rui M.G.; Abdelkefi, Abdessattar

In this work, the frequency response of a simplified shaft-bearing assembly is studied using numerical continuation. Roller-bearing clearances give rise to contact behavior in the system, and past research has focused on the nonlinear normal modes of the system and its response to shock-type loads. A harmonic balance method (HBM) solver is applied instead of a time integration solver, and numerical continuation is used to map out the system’s solution branches in response to a harmonic excitation. Stability analysis is used to understand the bifurcation behavior and possibly identify numerical or system-inherent anomalies seen in past research. Continuation is also performed with respect to the forcing magnitude, resulting in what are known as S-curves, in an effort to detect isolated solution branches in the system response.

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Leveraging High-Performance Data Transfer to Offload Data Management Tasks to SmartNICs

Proceedings - IEEE International Conference on Cluster Computing, ICCC

Levy, Scott; Schonbein, Whit; Ulmer, Craig

Network interface controllers (NICs) with general-purpose compute capabilities ('SmartNICs') present an opportunity for reducing host application overheads by offloading non-critical tasks to the NIC. In addition to moving computation, offloading requires that associated data is also transferred to the NIC. To meet this need, we introduce a high-performance, general-purpose data movement service that facilitates the of-floading of tasks to SmartNICs: The SmartNIC Data Movement Service (SDMS). SDMS provides near-line-rate transfer band-widths between the host and NIC. Moreover, SDMS's In-transit Data Placement (IDP) feature can reduce (or even eliminate) the cost of serializing data on the NIC by performing the necessary data formatting during the transfer. To illustrate these capabilities, we provide an in-depth case study using SDMS to offload data management operations related to Apache Arrow, a popular data format standard. For single-column tables, SDMS can achieve more than 87% of baseline throughput for data buffers that are 128 KiB or larger (and more than 95% of baseline throughput for buffers that are 1 MiB or larger) while also nearly eliminating the host and SmartNIC overhead associated with Arrow operations.

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Cookoff of an explosive and two propellants

Proceedings 17th International Detonation Symposium IDS 2024

Hobbs, Michael L.; Kaneshige, Michael J.; Erikson, William W.; Delery, Paul M.

Determining the thermal response of energetic materials at high densities can be difficult when pressure dependent reactions occur within the interior of the material. At high temperatures, reactive components such as hexahydro-l,3,5-tri-nitro-l,3,5-triazine (RDX), ammonium perchlorate (AP), and hydroxyl-terminated polybutadiene (HTPB) decompose and interact. The decomposition products accumulate near defects where internal pressure ultimately causes mechanical damage with closed pores transitioning into open pores. Gases are no longer confined locally; instead, they freely migrate between open pores and ultimately escape into the surrounding headspace or vent. Recently we have developed a universal cookoff model (UCM) coupled to a micromechanics pressurization (MMP) model to address pressure-dependent reactions that occur within the interior of explosives. Parameters for the UCM/MMP model are presented for an explosive and two propellants that contain similar portions of both aluminum (Al) and a binder. The explosive contains RDX and the propellants contain AP with no RDX. One of the propellants contains small amounts of curing catalysts and a burn modifier whereas the other propellant does not. We found that the cookoff behavior of the two propellants behave similarly leading and conclude that small amounts of catalysts or burn modifiers do not influence cookoff behavior appreciably. Kinetic parameters for the UCM/MMP models were obtained from the Sandia Instrumented Thermal Ignition (SITI) experiment. Validation is done with data from other laboratories.

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Helium Gas Release by Rocks Undergoing Crushing

58th US Rock Mechanics / Geomechanics Symposium 2024, ARMA 2024

Kibikas, William; Paul, Matthew J.; Wilson, Jennifer E.; Kruichak-Duhigg, Jessica N.; Broome, Scott T.

Geogenic gases often reside in intergranular pore space, fluid inclusions, and within mineral grains. In particular, helium-4 (4He) is generated by alpha decay of uranium and thorium in rocks. The emitted 4He nuclei can be trapped in the rock matrix or in fluid inclusions. Recent work has shown that releases of helium occur during plastic deformation of crustal rocks above atmospheric concentrations that are detectable in the field. However, it is unclear how rock type and deformation modalities affect the cumulative gas released. This work seeks to address how different deformation modalities observed in several rock types affect release of helium. Axial compression tests with granite, rhyolite, tuff, dolostone, and sandstone - under vacuum conditions - were conducted to measure the transient release of helium from each sample during crushing. It was found that, when crushed up to 97500 N, each rock type released helium at a rate quantifiable using a helium mass spectrometer leak detector. For plutonic rock like granite, helium flow rate spikes with the application of force as the samples elastically deform until fracture, then decays slowly until grain breakdown comminution begins to occur. Both the rhyolite and tuff do not experience such large spikes in helium flow rate, with the rhyolites fracturing at much lower force and the tuffs compacting instead of fracturing due to their high porosity. Both rhyolite and tuff instead experience a lesser but steady helium release as they are crushed. The cumulative helium release for the volcanic tuffs varies as much as two orders of magnitude but is fairly consistent for the denser rhyolite and granite tested. The results indicate that there is a large degassing of helium as rocks are elastically and inelastically deformed prior to fracturing. For more porous and less brittle rocks, the cumulative release will depend more on the degree of deformation applied. These results are compared with known U/Th radioisotopes in the rocks to relate the trapped helium as either produced in the rock or from secondary migration of 4He.

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HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware

Quantum

Sawaya, Nicolas P.D.; Marti-Dafcik, Daniel; Ho, Yang; Tabor, Daniel P.; Bernal Neira, David E.; Magann, Alicia B.; Premaratne, Shavindra; Dubey, Pradeep; Matsuura, Anne; Bishop, Nathan; De Jong, Wibe A.; Benjamin, Simon; Parekh, Ojas D.; Tubman, Norm M.; Klymko, Katherine; Camps, Daan

In order to characterize and benchmark computational hardware, software, and algorithms, it is essential to have many problem instances on-hand. This is no less true for quantum computation, where a large collection of real-world problem instances would allow for benchmarking studies that in turn help to improve both algorithms and hardware designs. To this end, here we present a large dataset of qubit-based quantum Hamiltonians. The dataset, called HamLib (for Hamiltonian Library), is freely available online and contains problem sizes ranging from 2 to 1000 qubits. HamLib includes problem instances of the Heisenberg model, Fermi-Hubbard model, Bose-Hubbard model, molecular electronic structure, molecular vibrational structure, MaxCut, Max-k-SAT, Max-k-Cut, QMaxCut, and the traveling salesperson problem. The goals of this effort are (a) to save researchers time by eliminating the need to prepare problem instances and map them to qubit representations, (b) to allow for more thorough tests of new algorithms and hardware, and (c) to allow for reproducibility and standardization across research studies.

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Laser-Based Characterization of Reflected Shock Tunnel Freestream Velocity and Multi-Species Thermal Nonequilibrium with Comparison to Modeling

AIAA SciTech Forum and Exposition, 2024

Jans, Elijah R.; Lynch, Kyle P.; Wagnild, Ross M.; Swain, William E.; Downing, Charley R.; Kearney, Sean P.; Wagner, Justin L.; Gilvey, Jonathan J.; Goldenstein, Christopher S.

Coherent anti-Stokes Raman scattering (CARS) and nitric oxide molecular tagging velocimetry (NO-MTV) are used to characterize the freestream in Sandia’s Hypersonic Shock Tunnel (HST) using a burst-mode laser operated at 100-kHz. Experiments are performed at nominal freestream velocities of 3 and 4 km/s using both air and N2 test gas. The CARS diagnostic provides nonequilibrium characterization of the flow by measuring vibrational and rotational temperatures of N2 and O2, which are compared to NO temperatures from separate laser absorption experiments. Simultaneous, colinear freestream velocities are measured using NO MTV along with pitot pressures. This extensive freestream dataset is compared to nonequilibrium CFD capable of modeling species-specific, vibrational temperatures throughout the nozzle expansion. Significant nonequilibrium between vibrational and rotational temperatures are measured at each flow condition. N2 exhibits the most nonequilibrium followed by O2 and NO. The CFD model captures this trend, although it consistently overpredicts N2 vibrational temperatures. The modeled temperatures agree with the O2 data. At 3 km/s, the modeled NO nonequilibrium is underpredicted, whereas it is overpredicted at 4 km/s. Good agreement is seen between CFD and the velocity and rotational temperature measurements. Experiments with water added to the test gas yielded no discernable difference in vibrational relaxation.

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Model Development for Thermal-Hydrology Simulations of a Full-Scale Heater Experiment in Opalinus Clay

Nuclear Technology

Hadgu, Teklu; Matteo, Edward N.; Dewers, Thomas

Disposal of commercial spent nuclear fuel in a geologic repository is studied. In situ heater experiments in underground research laboratories provide a realistic representation of subsurface behavior under disposal conditions. This study describes process model development and modeling analysis for a full-scale heater experiment in opalinus clay host rock. The results of thermal-hydrology simulation, solving coupled nonisothermal multiphase flow, and comparison with experimental data are presented. The modeling results closely match the experimental data.

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On the Harmonic Balance Method Augmented with Nonsmooth Basis Functions for Contact/Impact Problems

Conference Proceedings of the Society for Experimental Mechanics Series

Saunders, Brian E.; Kuether, Robert J.; Vasconcellos, Rui M.G.; Abdelkefi, Abdessattar

In this work, we evaluate the usefulness of nonsmooth basis functions for representing the periodic response of a nonlinear system subject to contact/impact behavior. As with sine and cosine basis functions for classical Fourier series, which have C∞ smoothness, nonsmooth counterparts with C0 smoothness are defined to develop a nonsmooth functional representation of the solution. Some properties of these basis functions are outlined, such as periodicity, derivatives, and orthogonality, which are useful for functional series applied via the Galerkin method. Least-squares fits of the classical Fourier series and nonsmooth basis functions are presented and compared using goodness-of-fit metrics for time histories from vibro-impact systems with varying contact stiffnesses. This formulation has the potential to significantly reduce the computational cost of harmonic balance solvers for nonsmooth dynamical systems. Rather than requiring many harmonics to capture a system response using classical, smooth Fourier terms, the frequency domain discretization could be captured by a combination of a finite Fourier series supplemented with nonsmooth basis functions to improve convergence of the solution for contact-impact problems.

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Polarization tomography of photon pairs emitted by nonlinear metasurfaces with quasi-bound states in the continuum resonances

2024 Conference on Lasers and Electro-Optics, CLEO 2024

Noh, Jiho; Santiago-Cruz, Tomas; Gennaro, Sylvain D.; Sultanov, Vitaliy; Brener, Igal; Chekhova, Maria V.

We use complete polarization tomography of photon pairs generated in semiconductor metasurfaces via spontaneous parametric down-conversion to show how bound states in the continuum resonances affect the polarization state of the emitted photons.

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A Uniform Taxonomy for Photovoltaic System Operations and Maintenance Data

Conference Record of the IEEE Photovoltaic Specialists Conference

Hansen, Clifford; Rossman, A.J.; Nagel, James

We outline a uniform taxonomy for photovoltaic (PV) system operations and maintenance (O&M) data. For example, such data include time-series of power, voltage, and meteorological measurements, records of instrument cleaning and calibration, records of O&M-related activities such as inspections, and records of events such as device failures. The described taxonomy provides structured models for all these data using consistent terms and classifications. A uniform taxonomy is enables analytics spanning across systems and portfolios of systems.

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Laboratory Hail Damage of Photovoltaic Modules: Electroluminescence and High-speed Digital Image Correlation Analysis

Conference Record of the IEEE Photovoltaic Specialists Conference

Digregorio, Steven J.; Braid, Jennifer L.; Shimizu, Michael A.; Hartley, James Y.; Sillerud, Colin

Hail poses a significant threat to photovoltaic (PV) systems due to the potential for both cell and glass cracking. This work experimentally investigates hail-related failures in Glass/Backsheet and Glass/Glass PV modules with varying ice ball diameters and velocities. Post-impact Electroluminescence (EL) imaging revealed the damage extent and location, while high-speed Digital Image Correlation (DIC) measured the out-of-plane module displacements. The findings indicate that impacts of 20 J or less result in negligible damage to the modules tested. The thinner glass in Glass/Glass modules cracked at lower impact energies (-25 J) than Glass/Backsheet modules (-40 J). Furthermore, both module types showed cell and glass cracking at lower energies when impacted at the module's edges compared to central impacts. At the time of presentation, we will use DIC to determine if out-of-plane displacements are responsible for the impact location discrepancy and provide more insights into the mechanical response of hail impacted modules. This study provides essential insights into the correlation between impact energy, impact location, displacements, and resulting damage. The findings may inform critical decisions regarding module type, site selection, and module design to contribute to more reliable PV systems.

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Statistical mechanical model for crack growth

Physical Review E

Buche, Michael R.; Grutzik, Scott J.

Analytic relations that describe crack growth are vital for modeling experiments and building a theoretical understanding of fracture. Upon constructing an idealized model system for the crack and applying the principles of statistical thermodynamics, it is possible to formulate the rate of thermally activated crack growth as a function of load, but the result is analytically intractable. Here, an asymptotically correct theory is used to obtain analytic approximations of the crack growth rate from the fundamental theoretical formulation. These crack growth rate relations are compared to those that exist in the literature and are validated with respect to Monte Carlo calculations and experiments. The success of this approach is encouraging for future modeling endeavors that might consider more complicated fracture mechanisms, such as inhomogeneity or a reactive environment.

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Accurate Compression of Tabulated Chemistry Models with Partition of Unity Networks

Combustion Science and Technology

Armstrong, Elizabeth; Hansen, Michael A.; Knaus, Robert C.; Trask, Nathaniel A.; Hewson, John C.; Sutherland, James C.

Tabulated chemistry models are widely used to simulate large-scale turbulent fires in applications including energy generation and fire safety. Tabulation via piecewise Cartesian interpolation suffers from the curse-of-dimensionality, leading to a prohibitive exponential growth in parameters and memory usage as more dimensions are considered. Artificial neural networks (ANNs) have attracted attention for constructing surrogates for chemistry models due to their ability to perform high-dimensional approximation. However, due to well-known pathologies regarding the realization of suboptimal local minima during training, in practice they do not converge and provide unreliable accuracy. Partition of unity networks (POUnets) are a recently introduced family of ANNs which preserve notions of convergence while performing high-dimensional approximation, discovering a mesh-free partition of space which may be used to perform optimal polynomial approximation. We assess their performance with respect to accuracy and model complexity in reconstructing unstructured flamelet data representative of nonadiabatic pool fire models. Our results show that POUnets can provide the desirable accuracy of classical spline-based interpolants with the low memory footprint of traditional ANNs while converging faster to significantly lower errors than ANNs. For example, we observe POUnets obtaining target accuracies in two dimensions with 40 to 50 times less memory and roughly double the compression in three dimensions. We also address the practical matter of efficiently training accurate POUnets by studying convergence over key hyperparameters, the impact of partition/basis formulation, and the sensitivity to initialization.

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COMPARISON OF MEASURED AND PREDICTED VESSEL HOOP STRAINS AND DOOR DISPLACEMENTS FOR THE EXPLOSIVE DESTRUCTIVE SYSTEM V31 VESSEL

American Society of Mechanical Engineers, Pressure Vessels and Piping Division (Publication) PVP

Ludwigsen, John S.; Stofleth, Jerome H.; Tribble, Megan K.; Crocker, Robert W.

The Explosive Destruction System (EDS) V31 containment vessel was procured by the US Army Recovered Chemical Materiel Directorate (RCMD) as a third-generation system used to destroy chemical munitions. It is the fifth individual EDS vessel to be fabricated under Code Case 2564 of the 2019 ASME Boiler and Pressure Vessel Code, which provides rules for the design of impulsively loaded vessels. The explosive rating for this vessel, based on the code case, is twenty-four (24) pounds TNT-equivalent for up to 1092 detonations. This report documents the results of explosive tests that were performed on the vessel at Sandia National Laboratories in Albuquerque, New Mexico to qualify the vessel for field operations use. There were three design basis configurations for qualification testing. Qualification test (1) consisted of a simulated M55 rocket motor and warhead assembly of 24lbs of Composition C-4 (30 lb TNT equivalent). This test was considered the maximum load case, based on modeling and simulation methods performed by Sandia prior to the vessel design phase. Qualification test (2) consisted of a regular, right circular cylinder, unitary charge, located central to the vessel interior of 19.2 lb of Composition C-4 (24 lb TNT equivalent). Qualification test (3) consisted of a 12-pack of regular, right circular cylinders, distributed evenly inside the vessel (totaling 19.2 lb of C-4, or 24 lb TNT equivalent). The ASME certification was based exclusively on the analytical predictions because the data required for certification cannot be obtained through testing. Strains through the thickness of the wall and on the inside surface of the cylinder were required and could only be obtained through analysis. Strain gages were placed on the outside of the vessel in three locations and the displacement of the door was measured using a Photonic Doppler Velocimetry (PDV) system. These measured values are compared to analytical predictions to help ensure the accuracy of the predicted strains and displacements throughout the rest of the model.

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Increased Spatial Coverage in Optical Diagnostics using Glass Wedges

Laser Applications to Chemical, Security and Environmental Analysis, LACSEA 2024 in Proceedings Optica Sensing Congress 2024, AIS, LACSEA, Sensors, QSM - Part of Optica Sensing Congress

Richardson, Daniel R.

Glass wedges are used increase the dimensionality of various optical measurements. Light refracted through the wedges can be focused to closely spaced points, lines or planes as shown in the applications herein.

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Decentralized Reactive Power Control in Distribution Grids With Unknown Reactance Matrix

IEEE Open Access Journal of Power and Energy

Ye, Lintao; Kosaraju, Krishna C.; Gupta, Vijay; Trevizan, Rodrigo D.; Byrne, Raymond H.; Chalamala, Babu

We consider the problem of decentralized control of reactive power provided by distributed energy resources for voltage support in the distribution grid. We assume that the reactance matrix of the grid is unknown and potentially time-varying. We present a decentralized adaptive controller in which the reactive power at each inverter is set using a potentially heterogeneous droop curve and analyze the stability and the steady-state error of the resulting system. The effectiveness of the controller is validated in simulations using a modified version of the IEEE 13-bus and a 8500-node test system.

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Data-driven Whitney forms for structure-preserving control volume analysis

Journal of Computational Physics

Actor, Jonas A.; Roberts, Scott A.; Huang, Andy; Trask, Nathaniel; Hu, Xiaozhe

Control volume analysis models physics via the exchange of generalized fluxes between subdomains. We introduce a scientific machine learning framework adopting a partition of unity architecture to identify physically-relevant control volumes, with generalized fluxes between subdomains encoded via Whitney forms. The approach provides a differentiable parameterization of geometry which may be trained in an end-to-end fashion to extract reduced models from full field data while exactly preserving physics. The architecture admits a data-driven finite element exterior calculus allowing discovery of mixed finite element spaces with closed form quadrature rules. An equivalence between Whitney forms and graph networks reveals that the geometric problem of control volume learning is equivalent to an unsupervised graph discovery problem. The framework is developed for manifolds in arbitrary dimension, with examples provided for H(div) problems in R2 establishing convergence and structure preservation properties. Finally, we consider a lithium-ion battery problem where we discover a reduced finite element space encoding transport pathways from high-fidelity microstructure resolved simulations. The approach reduces the 5.89M finite element simulation to 136 elements while reproducing pressure to under 0.1% error and preserving conservation.

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Analyzing Hail Impact-Induced Glass Fracture in Photovoltaic Modules Using High Speed Video and Computational Simulation

Conference Record of the IEEE Photovoltaic Specialists Conference

Hartley, James Y.; Digregorio, Steven J.; Weil, Jacob; Zhang, Kevin; Braid, Jennifer L.; Trippel, Lou

Photovoltaic modules undergoing laboratory hail tests were observed using high speed video to analyze the key characteristics of impact-induced glass fracture, including crack onset time, initiation location relative to the impact site, and propagation trends. Fifteen commercially representative glass-glass thin-film modules were recorded at 300,000 frames per second during hail impacts which happened to cause glass fracture. Images were processed to identify the time between impact and first plausible glass crack appearance (average 126 μs, standard deviation 59 μs) along with the time to a confirmed crack (average 158 μs, standard deviation 77μs), during the ice ball impacts which had a median kinetic energy of 47 J delivered by 55 mm diameter balls. Limiting factors for identifying glass crack timings were ice ball fragmentation obscuring the impact site and indistinct initial crack appearance, which were inherent to the images and not improved with processing. Computational simulations corresponding to each impact event showed that glass stresses were still localized to the impact site during times with definitively identifiable fracture, and even impacts which did not induce failure created local stress magnitudes exceeding stress levels associated with static glass fracture. These observations confirm that impact-induced glass failure is a time-and rate-dependent phenomena. Results from this study provide baseline metrics for developing a glass fracture criterion to predict module damage during hail impact events, which in turn allows for analysis of design features that may affect damage susceptibility.

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Security Constrained Uncertainty Interval Estimation using Sensitivity Trajectories in Dynamical Systems

Proceedings of the American Control Conference

Choi, Hyungjin; Elliott, Ryan T.; Venkat, Dhruva; Trudnowski, Dan

Dynamical system models inherently have uncertainties in model parameters and inputs. Quantifying uncertainties is essential to analyze their impact on system behavior and stability. In this paper, we propose a novel algorithm for estimating security-constrained uncertainty intervals, i.e., maximum uncertainty intervals that satisfy certain stability constraints imposed on the system responses, e.g., state trajectories. For this, we solve an inverse uncertainty propagation problem formulated as the volume maximization of an inner axis-parallel box, which is a convex optimization problem. Central to our proposed method is the approximation of the states as affine in uncertain parameters, inputs, and initial points by leveraging information about the sensitivity of the state trajectories of the dynamical system. Numerical examples are presented to demonstrate the proposed approach to estimate security-constrained uncertainty intervals for nonlinear dynamical systems including a pendulum and a microgrid with renewables and energy storage.

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Biological Dynamics Enabling Training of Binary Recurrent Networks

2024 IEEE Neuro Inspired Computational Elements Conference, NICE 2024 - Proceedings

Bays, Nathan R.; Agarwal, Sapan; Xiao, T.P.; Hays, Park E.; Musuvathy, Srideep S.

Neuromorphic computing systems have been used for the processing of spatiotemporal video-like data, requiring the use of recurrent networks, while attempting to minimize power consumption by utilizing binary activation functions. However, previous work on binary activation networks has primarily focused on training of feed-forward networks due to difficulties in training recurrent binary networks. Spiking neural networks however have been successfully trained in recurrent networks, despite the fact that they operate with binary communication. Intrigued by this discrepancy, we design a generalized leaky-integrate and fire neuron which can be deconstructed to a binary activation unit, allowing us to investigate the minimal dynamics from a spiking network that are required to allow binary activation networks to be trained. We find that a subthreshold integrative membrane potential is the only requirement to allow an otherwise standard binary activation unit to be trained in a recurrent network. Investigating further the trained networks, we find that these stateful binary networks learn a soft reset mechanism by recurrent weights, allowing them to approximate the explicit reset of spiking networks.

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A MIMO Time Waveform Replication Control Implementation

Conference Proceedings of the Society for Experimental Mechanics Series

Schultz, Ryan; Carter, Steven P.

The importance of user-accessible multiple-input/multiple-output (MIMO) control methods has been highlighted in recent years. Several user-created control laws have been integrated into Rattlesnake, an open-source MIMO vibration controller developed at Sandia National Laboratories. Much of the effort to date has focused on stationary random vibration control. However, there are many field environments which are not well captured by stationary random vibration testing, for example shock, sine, or arbitrary waveform environments. This work details a time waveform replication technique that uses frequency domain deconvolution, including a theoretical overview and implementation details. Example usage is demonstrated using a simple structural dynamics system and complicated control waveforms at multiple degrees of freedom.

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Assessing the release, transport, and retention of radioactive aerosols from hypothetical breaches in spent fuel storage canisters

Frontiers in Energy Research

Chatzidakis, Stylianos; Bays, Nathan R.; Durbin, S.; Montgomery, Rose

Interim dry storage of spent nuclear fuel involves storing the fuel in welded stainless-steel canisters. Under certain conditions, the canisters could be subjected to environments that may promote stress corrosion cracking leading to a risk of breach and release of aerosol-sized particulate from the interior of the canister to the external environment through the crack. Research is currently under way by several laboratories to better understand the formation and propagation of stress corrosion cracks, however little work has been done to quantitatively assess the potential aerosol release. The purpose of the present work is to introduce a reliable generic numerical model for prediction of aerosol transport, deposition, and plugging in leak paths similar to stress corrosion cracks, while accounting for potential plugging from particle deposition. The model is dynamic (changing leak path geometry due to plugging) and it relies on the numerical solution of the aerosol transport equation in one dimension using finite differences. The model’s capabilities were also incorporated into a Graphical User Interface (GUI) that was developed to enhance user accessibility. Model validation efforts presented in this paper compare the model’s predictions with recent experimental data from Sandia National Laboratories (SNL) and results available in literature. We expect this model to improve the accuracy of consequence assessments and reduce the uncertainty of radiological consequence estimations in the remote event of a through-wall breach in dry cask storage systems.

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On Coordinate Encoding in Multifidelity Neural Networks

AIAA SciTech Forum and Exposition, 2024

Villatoro, Cristian; Geraci, Gianluca; Schiavazzi, Daniele E.

Multifidelity emulators have found wide-ranging applications in both forward and inverse problems within the computational sciences. Thanks to recent advancements in neural architectures, they provide significant flexibility for integrating information from multiple models, all while retaining substantial efficiency advantages over single-fidelity methods. In this context, existing neural multifidelity emulators operate by separately resolving the linear and nonlinear correlation between equally parameterized high-and low-fidelity approximants. However, many complex models ensembles in science and engineering applications only exhibit a limited degree of linear correlation between models. In such a case, the effectiveness of these approaches is impeded, i.e., larger datasets are needed to obtain satisfactory predictions. In this work, we present a general strategy that seeks to maximize the linear correlation between two models through input encoding. We showcase the effectiveness of our approach through six numerical test problems, and we show the ability of the proposed multifidelity emulator to accurately recover the high-fidelity model response under an increasing number of quasi-random samples. In our experiments, we show that input encoding produces in many cases emulators with significantly simpler nonlinear correlations. Finally, we demonstrate how the input encoding can be leveraged to facilitate the fusion of information between low-and high-fidelity models with dissimilar parametrization, i.e., situations in which the number of inputs is different between low-and high-fidelity models.

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Characterizing the Impact of Job Execution on the Occurrence of Memory Failures on a Petascale HPC System

Proceedings - Symposium on Computer Architecture and High Performance Computing

Levy, Scott; Hemmert, Josh; Ferreira, Kurt B.; Bays, Nathan R.

Characterizing the reliability of current and recent high performance (HPC) systems is critical for forecasting how future systems may behave and informing the design of fault tolerance mechanisms. Although research has been conducted to understand memory failures, there are few examples where the occurrence of memory failures is considered in the broader context of system power, temperature, and the execution of user jobs. In this paper, we combine job data with existing power, temperature, and memory failure data collected on a petascale HPC system. By focusing on periods when jobs were running on the system, we identified trends that were not evident in earlier studies of this same data. The inclusion of job data also demonstrated how user behavior can affect the occurrence of memory failures. In conjunction with this paper, we have publicly released the job data used in this paper to complement existing publicly-available data from Astra regarding power, temperature, and the occurrence of correctable memory failures.

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Bio-Inspired Active Silicon Dendrite for Direction Selectivity

Proceedings - 2024 International Conference on Neuromorphic Systems, ICONS 2024

Parker, Luke; Cardwell, Suma G.; Chance, Frances S.; Koziol, Scott

Dendrites enable neurons to perform nonlinear operations. Existing silicon dendrite circuits sufficiently model passive and active characteristics, but do not exploit shunting inhibition as an active mechanism. We present a dendrite circuit implemented on a reconfigurable analog platform that uses active inhibitory conductance signals to modulate the circuit's membrane potential. We explore the potential use of this circuit for direction selectivity by emulating recent observations demonstrating a role for shunting inhibition in a directionally-selective Drosophila (Fruit Fly) neuron.

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Effect of Accelerated Aging on Microstructure and Initiation of Vapor-Deposited PETN Films

Proceedings 17th International Detonation Symposium IDS 2024

Knepper, Robert A.; Bassett, William P.; Beppler, Christina L.; Kittell, David E.; Marquez, Michael P.; Quinn, Jennifer L.; Tappan, Alexander S.; Damm, David L.

Vapor-deposited PETN films undergo significant microstructure evolution when exposed to elevated temperatures, even for short periods of time. This accelerated aging impacts initiation behavior and can lead to chemical changes as well. In this study, as-deposited and aged PETN films are characterized using scanning electron microscopy and ultra-high performance liquid chromatography and compared with changes in initiation behavior measured via a high-throughput experimental platform that uses laser-driven flyers to sequentially impact an array of small explosive samples. Accelerated aging leads to rapid coarsening of the grain structure. At longer times, little additional coarsening is evident, but the distribution of porosity continues to evolve. These changes in microstructure correspond to shifts in the initiation threshold and onset of reactions to higher flyer impact velocities.

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Effects of Microstructure and Surface Roughness on Initiation Behavior in Vapor-Deposited Explosives

Proceedings 17th International Detonation Symposium IDS 2024

Stewart, James A.; Monti, Joseph M.; Bassett, William P.; Knepper, Robert A.; Damm, David L.

A mesoscale model for the shock initiation of pentaerythritol tetranitrate (PETN) films has been utilized to elucidate changes in initiation thresholds due to aging conditions and surface roughness, as has been observed from a series of high-throughput initiation (HTI) experiments. The HTI experiment has generated a wealth of thin-pulse, sub-millimeter shock initiation data for vapor deposited PETN films with thicknesses of 67-125 μm and varying accelerated aging conditions. This is because the HTI experiment provides access to growth-to-detonation information for explosives that exhibit a shock-to-detonation transition (SDT) with length and time scales that are too short to be resolved by conventional experiments. Mesoscale modeling results using experimentally characterized PETN microstructures are able to capture the general trend observed in experiments, in that increasing flyer impact velocity increases reactions until full detonation is reached. Moreover, the varying degrees of surface roughness that were considered were found to provide only minor variances in the peak particle velocity at the explosive output. The model did not predict a shift in the initiation threshold due to aged microstructures alone, indicating that additional mesoscale model improvements are necessary.

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Plenoptic Background Oriented Schlieren Imaging

Coded Optical Imaging

Hall, Elise M.; Davis, Jenna; Guildenbecher, Daniel R.; Thurow, Brian

Plenoptic background-oriented schlieren is a diagnostictechnique that enables the measure-ment of three-dimensional refractive gradients by a combination of background-oriented schlieren and a plenoptic light field camera. This plenoptic camera is a modification of a traditional camera via the insertion of an array of microlenses between the imaging lens and digital sensor. This allows the collection of both spatial and angular information on the incoming light rays and therefore provides three-dimensional information about the imaged scene. Background-oriented schlieren requires a relatively simple experimental configurationincludingonlyacameraviewing a patterned background through the density field of interest. By using a plenoptic camera to capture background-oriented schlieren images the optical distortion created by density gradients in three dimensions can be measured. This chapter is intended to review critical developments in plenoptic background-oriented schlieren imaging and provide an outlook for future applications of this measurement technique.

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Physics-Driven Modeling of Detonation Soot Nascency and Growth

Proceedings - 17th International Detonation Symposium, IDS 2024

Omana, Michael A.; Hammond-Clements, Adam L.; Chandross, Michael E.; Winter, Ian S.; Velizhanin, Kirill A.; Huber, Rachel C.; Willey, Trevor M.; Nielsen, Michael H.

We present a physics-driven modeling framework for early-time detonation soot formation, integrating hydrodynamic flow simulations and particle growth simulations to predict particle dynamics. Validated against SAXS data, our model supports diffusion-limited growth. Molecular dynamics simulations provide diffusion rates to keep particle models species-informed. The methodology is tested on a gram-scale colliding-wave explosive geometry to explore sensitivity of particle fusion to temperature and initial size. This modeling framework, decoupled from empirical methods, enhances predictive capabilities in explosive soot modeling.

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Quantum Sensing using a Qubit for the Detection of Ionizing Radiation

Proceedings of SPIE - The International Society for Optical Engineering

Freeman, Matthew L.; Del Skinner-Ramos, Suelicarmen; Lewis, Rupert M.; Carr, Stephen M.

Quantum sensing utilizes the inherent sensitivity of a quantum system to external stimuli. Our goal is to leverage this sensitivity to develop a quantum sensor designed for the detection of ionizing radiation. Here we report on the design, fabrication, and measurement of a new quantum device for hard x-ray and gamma-ray detection. Our quantum device is based on a superconducting quantum bit (qubit) with superconducting tunnel junctions as the core device elements. We describe our experimental investigation directed toward the detection metrics of energy resolution, dynamic range, and active area. In contrast to existing superconducting detectors, the active area per qubit may be much larger than the physical area of the tunnel junctions or the physical area of the qubit device, due to the sensitivity of quantum coherence to ionizing radiation deposition within a radius on the millimeter or centimeter scale. Our experimental design enables an ionizing radiation source at room temperature to be detected by our quantum sensor at low temperature.

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Laboratory Hail Damage of Photovoltaic Modules: Electroluminescence and High-speed Digital Image Correlation Analysis

Conference Record of the IEEE Photovoltaic Specialists Conference

Digregorio, Steven J.; Braid, Jennifer L.; Shimizu, Michael A.; Hartley, James Y.

Hail poses a significant threat to photovoltaic (PV) systems due to the potential for both cell and glass cracking. This work experimentally investigates hail-related failures in Glass/Backsheet and Glass/Glass PV modules with varying ice ball diameters and velocities. Post-impact Electroluminescence (EL) imaging revealed the damage extent and location, while high-speed Digital Image Correlation (DIC) measured the out-of-plane module displacements. The findings indicate that impacts of 20 J or less result in negligible damage to the modules tested. The thinner glass in Glass/Glass modules cracked at lower impact energies (-25 J) than Glass/Backsheet modules (-40 J). Furthermore, both module types showed cell and glass cracking at lower energies when impacted at the module's edges compared to central impacts. At the time of presentation, we will use DIC to determine if out-of-plane displacements are responsible for the impact location discrepancy and provide more insights into the mechanical response of hail impacted modules. This study provides essential insights into the correlation between impact energy, impact location, displacements, and resulting damage. The findings may inform critical decisions regarding module type, site selection, and module design to contribute to more reliable PV systems.

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Anelastic Strain Recovery as a measure of in situ stresses at FORGE

58th US Rock Mechanics / Geomechanics Symposium 2024, ARMA 2024

Ingraham, Mathew; Ghassemi, A.

Anelastic strain recovery, the process of measuring the time dependent recovered strain after a core is cut at depth was utilized to make a measure of the in-situ properties stresses at depth at the FORGE (Frontier Observatory for Research in Geothermal Energy) site in Milford Utah. Core was collected from a region of well 16B at approximately 4860-4870 ft. Core was instrumented with strain gages within 10 hours of the core being cut. The relaxation of the cores was measured for approximately one month, and the results analyzed, which showed that the principal stresses were slightly off vertical, and magnitudes are close to equal.

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Intermolecular Coulombic Decay: Geometric and Electronic Structures of Ionized Water

Advances in Atomic Molecular Collisions

Weck, Philippe F.; Kim, Eunja

Intermolecular Coulombic decay (ICD) in liquid water is a relatively novel type of nonlocal electronic decay mechanism, competing with the traditional mechanism of proton transfer between neighboring water molecules. Key features of ICD are its ultrafast non-radiative decay process and ultralong-range for excess energy transfer from the excited atom/molecule to its neighbors. Since detecting unambiguous ICD signatures in bulk liquid water is technically challenging, small water clusters have often been utilized to gain insights into ICD and other ionization processes in aqueous environment. Here, we present results from quantum mechanical calculations of the electronic structures of neutral to multiply-ionized water monomer, dimer, trimer, and tetramer. Core-level electrons of water are also considered here since recent studies demonstrated that emission site and energy of the electrons released during resonant-Auger-ICD cascade can be controlled by coupling ICD to resonant core excitation. Previous studies of ICD and electronic structures of neutral and ionized small water clusters and liquid water are briefly discussed.

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Enhanced Geothermal Site Characterization using Generative Adversarial Network and Ensemble Method

58th US Rock Mechanics / Geomechanics Symposium 2024, ARMA 2024

Bao, Jichao; Lee, Jonghyun; Yoon, Hongkyu

Characterizing the subsurface properties such as permeability and thermal conductivity is important for stimulation planning and heat production in enhanced geothermal systems (EGS). Data assimilation methods, such as the Kalman-type methods, are widely used for characterization by assimilating observed dynamic data such as pressure and temperature. However, these approaches only perform well when the parameters follow a Gaussian distribution. The geothermal sites are usually highly heterogeneous with non-Gaussian distributed complex structures such as faults and fractures, which are difficult to characterize. Over the past few years, emerging deep generative models and their impressive applications in different tasks have provided a solution to produce images with complicated features. In this work, we use the Wasserstein Generative Adversarial Network (WGAN), a deep generative model, to generate fractured images from the low-dimensional and Gaussian distributed latent space. The ensemble method, a Kalman-type data assimilation method, is then applied to the latent variables to characterize the permeability fields of a fractured geothermal site using temperature data. A synthetic two-dimensional example is presented to show the performance of our approach.

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Chassis-Integrated Mode Stirring for Shielding Effectiveness Variability Characterization

IEEE International Symposium on Electromagnetic Compatibility

Wallace, Jon W.

Characterizing shielding effectiveness (SE) of enclosures is important in aerospace, military, and consumer applications. Direct SE measurement of an enclosure or chassis may be considered an exact characterization, but there are several sources of possible variability in such measurements, e.g., mechanical tolerances, the absence of components during test that exist in a final assembly, movement of components and cables, and perturbations due to probes and associated cabling. In [1] , internal stirrers were investigated as a way to sample the variation of SE of small enclosures when populated with random metallic objects. Here, we explore this idea as a way to quantify variability and sensitivity of an SE measurement, not only indicating the uncertainty of the SE measurement, but also delineating frequency ranges where either deterministic or statistical simulations should be applied.

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HYDROGEN PRESSURE CYLCING OF SUBSCALE PIPES TO SIMULATE FULL-SCALE TESTING OF TRANSMISSION PIPELINES

Proceedings of the Biennial International Pipeline Conference, IPC

San Marchi, Chris; Ronevich, Joseph; Schroeder, Benjamin B.; Davis, Brendan C.

Full-scale testing of pipes is costly and requires significant infrastructure investments. Subscale testing offers the potential to substantially reduce experimental costs and provides testing flexibility when transferrable test conditions and specimens can be established. To this end, a subscale pipe testing platform was developed to pressure cycle 60 mm diameter pipes (Nominal Pipe Size 2) to failure with gaseous hydrogen. Engineered defects were machined into the inner surface or outer surface to represent pre-existing flaws. The pipes were pressure cycled to failure with gaseous hydrogen at pressures to match operating stresses in large diameter pipes (e.g., stresses comparable to similar fractions of the specified minimum yield stress in transmission pipelines). Additionally, the pipe specimens were instrumented to identify crack initiation, such that crack growth could be compared to fracture mechanics predictions. Predictions leverage an extensive body of materials testing in gaseous hydrogen (e.g., ASME B31.12 Code Case 220) and the recently developed probabilistic fracture mechanics framework for hydrogen (Hydrogen Extremely Low Probability of Rupture, HELPR). In this work, we evaluate the failure response of these subscale pipe specimens and assess the conservatism of fracture mechanics-based design strategies (e.g., API 579/ASME FFS). This paper describes the subscale hydrogen testing capability, compares experimental outcomes to predictions from the probabilistic hydrogen fracture framework (HELPR), and discusses the complement to full-scale testing.

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Possible advantages to using a force-controlled MIMO test method for free-flight environments

Proceedings of ISMA 2024 International Conference on Noise and Vibration Engineering and Usd 2024 International Conference on Uncertainty in Structural Dynamics

Schultz, Ryan; Carter, Steven P.

In general, multiple-input/multiple-output (MIMO) vibration testing utilizes a response-controlled test methodology where specifications are in the form of response quantities at various locations distributed on the device under test (DUT). There are some advantages to this approach, namely that DUT response could be measured in some field environment and directly used as MIMO specifications for subsequent MIMO vibration tests on similar DUTs. However, in some cases it may be advantageous to control the MIMO vibration test at the inputs rather than the responses. One such case is free-flight environments, where the DUT is unconstrained, and all loads come from aerodynamic pressures. In this case, the force-controlled test method is much more robust to system changes such as unit-to-unit variability as compared to a response-controlled test method. This could make force-controlled MIMO test specifications more generalizable and easier to derive. This is exactly akin to transfer path analysis, where pseudo-forces are applicable in special circumstances. This paper will explore the force-controlled test concept and demonstrate it with a numerical example, comparing performance under various conditions vs. the traditional response-controlled test method.

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Dynamic Shear and Normal Force Detection in a Soft Insole Using Hybrid Optical & Piezoresistive Sensors

Proceedings of the IEEE RAS and EMBS International Conference on Biomedical Robotics and Biomechatronics

Mcarthur, Daniel; Branyan, Callie A.; Tansel, Derya Z.; Liu, Eric V.; Mazumdar, Anirban; Miera, Alexandria M.; Rittikaidachar, Michal; Spencer, Steven J.; Wood, David; Wheeler, Jason

The development of multi-axis force sensing ca-pabilities in elastomeric materials has enabled new types of human motion measurement with many potential applications. In this work, we present a new soft insole that enables mobile measurement of ground reaction forces (GRFs) outside of a lab-oratory setting. This insole is based on hybrid shear and normal force detecting (SAND) tactile elements (taxels) consisting of optical sensors optimized for shear sensing and piezoresistive pressure sensors dedicated to normal force measurement. We develop polynomial regression and deep neural network (DNN) GRF prediction models and compare their performance to ground-truth force plate data during two walking experiments. Utilizing a 4-layer DNN, we demonstrate accurate prediction of the anterior-posterior (AP), medial-lateral (ML) and vertical components of the GRF with normalized mean absolute errors (NMAE) of <5.1 %, 4.1 %, and 4.5%, respectively. We also demonstrate the durability of the hybrid SAND insole construction through more than 20,000 cycles of use.

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Detecting Stealthy False Data Injection Attacks in State of Charge Estimation Using Sensor Encoding

IEEE Power and Energy Society General Meeting

Trevizan, Rodrigo D.; Brien, Vittal S.'.; Rao, Vittal S.

This paper introduces a method for detecting stealthy false data injection attacks on the sensors of state of charge estimation algorithms used in battery management systems (BMSs). This method is based on sensor encoding, which is the active modification of sensor data streams. This method implements low-cost verification of the integrity of measurement data, allowing for the detection of stealthy additive attack vectors. It is considered that these attacks are crafted by malicious actors with knowledge of system models and who are capable of tampering with any number of measurements. The solution involves encoding all vulnerable measurements. The effectiveness of the method is demonstrated by simulations, where a stealthy attack on an encoded measurement vector captured by a BMS generates large residuals that trigger a chi-squared anomaly detector. Within the context of a defense-in-depth strategy, this method can be combined with other cybersecurity controls, such as encryption of data-in-transit, to equip cyberphysical systems with an additional line of defense against cyberattacks.

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Effects of Proton Irradiation on GaN Vacuum Electron Nanodiodes

IEEE Transactions on Electron Devices

Sapkota, Keshab R.; Vizkelethy, Gyorgy; Burns, George R.; Wang, George T.

Gallium nitride (GaN)-based nanoscale vacuum electron devices, which offer advantages of both traditional vacuum tube operation and modern solid-state technology, are attractive for radiation-hard applications due to the inherent radiation hardness of vacuum electron devices and the high radiation tolerance of GaN. Here, we investigate the radiation hardness of top-down fabricated n-GaN nanoscale vacuum electron diodes (NVEDs) irradiated with 2.5-MeV protons (p) at various doses. We observe a slight decrease in forward current and a slight increase in reverse leakage current as a function of cumulative protons fluence due to a dopant compensation effect. The NVEDs overall show excellent radiation hardness with no major change in electrical characteristics up to a cumulative fluence of 5E14 p/cm2, which is significantly higher than the existing state-of-the-art radiation-hardened devices to our knowledge. The results show promise for a new class of GaN-based nanoscale vacuum electron devices for use in harsh radiation environments and space applications.

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MULTILEVEL MONTE CARLO ESTIMATORS FOR DERIVATIVE-FREE OPTIMIZATION UNDER UNCERTAINTY

International Journal for Uncertainty Quantification

Menhorn, Friedrich; Geraci, Gianluca; Seidl, D.T.; Marzouk, Youssef M.; Eldred, Michael S.; Bungartz, Hans J.

Optimization is a key tool for scientific and engineering applications; however, in the presence of models affected by uncertainty, the optimization formulation needs to be extended to consider statistics of the quantity of interest. Optimization under uncertainty (OUU) deals with this endeavor and requires uncertainty quantification analyses at several design locations; i.e., its overall computational cost is proportional to the cost of performing a forward uncertainty analysis at each design location. An OUU workflow has two main components: an inner loop strategy for the computation of statistics of the quantity of interest, and an outer loop optimization strategy tasked with finding the optimal design, given a merit function based on the inner loop statistics. In this work, we propose to alleviate the cost of the inner loop uncertainty analysis by leveraging the so-called multilevel Monte Carlo (MLMC) method, which is able to allocate resources over multiple models with varying accuracy and cost. The resource allocation problem in MLMC is formulated by minimizing the computational cost given a target variance for the estimator. We consider MLMC estimators for statistics usually employed in OUU workflows and solve the corresponding allocation problem. For the outer loop, we consider a derivative-free optimization strategy implemented in the SNOWPAC library; our novel strategy is implemented and released in the Dakota software toolkit. We discuss several numerical test cases to showcase the features and performance of our approach with respect to its Monte Carlo single fidelity counterpart.

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Laser-Based Characterization of Reflected Shock Tunnel Freestream Velocity and Multi-Species Thermal Nonequilibrium with Comparison to Modeling

AIAA SciTech Forum and Exposition, 2024

Jans, Elijah R.; Lynch, Kyle P.; Wagnild, Ross M.; Swain, William E.; Downing, Charley R.; Kearney, Sean P.; Wagner, Justin L.; Gilvey, Jonathan J.; Goldenstein, Christopher S.

Coherent anti-Stokes Raman scattering (CARS) and nitric oxide molecular tagging velocimetry (NO-MTV) are used to characterize the freestream in Sandia’s Hypersonic Shock Tunnel (HST) using a burst-mode laser operated at 100-kHz. Experiments are performed at nominal freestream velocities of 3 and 4 km/s using both air and N2 test gas. The CARS diagnostic provides nonequilibrium characterization of the flow by measuring vibrational and rotational temperatures of N2 and O2, which are compared to NO temperatures from separate laser absorption experiments. Simultaneous, colinear freestream velocities are measured using NO MTV along with pitot pressures. This extensive freestream dataset is compared to nonequilibrium CFD capable of modeling species-specific, vibrational temperatures throughout the nozzle expansion. Significant nonequilibrium between vibrational and rotational temperatures are measured at each flow condition. N2 exhibits the most nonequilibrium followed by O2 and NO. The CFD model captures this trend, although it consistently overpredicts N2 vibrational temperatures. The modeled temperatures agree with the O2 data. At 3 km/s, the modeled NO nonequilibrium is underpredicted, whereas it is overpredicted at 4 km/s. Good agreement is seen between CFD and the velocity and rotational temperature measurements. Experiments with water added to the test gas yielded no discernable difference in vibrational relaxation.

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Understanding the interplay between pilot fuel mixing and auto-ignition chemistry in hydrogen-enriched environment

Proceedings of the Combustion Institute

Lee, Taesong; Rajasegar, Rajavasanth; Srna, Ales

The diesel-piloted dual-fuel compression ignition combustion strategy is well-suited to accelerate the decarbonization of transportation by adopting hydrogen as a renewable energy carrier into the existing internal combustion engine with minimal engine modifications. Despite the simplicity of engine modification, many questions remain unanswered regarding the optimal pilot injection strategy for reliable ignition with minimum pilot fuel consumption. The present study uses a single-cylinder heavy-duty optical engine to explore the phenomenology and underlying mechanisms governing the pilot fuel ignition and the subsequent combustion of a premixed hydrogen-air charge. The engine is operated in a dual-fuel mode with hydrogen premixed into the engine intake charge with a direct pilot injection of n-heptane as a diesel pilot fuel surrogate. Optical diagnostics used to visualize in-cylinder combustion phenomena include high-speed IR imaging of the pilot fuel spray evolution as well as high-speed HCHO* and OH* chemiluminescence as indicators of low-temperature and high-temperature heat release, respectively. Three pilot injection strategies are compared to explore the effects of pilot fuel mass, injection pressure, and injection duration on the probability and repeatability of successful ignition. The thermodynamic and imaging data analysis supported by zero-dimensional chemical kinetics simulations revealed a complex interplay between the physical and chemical processes governing the pilot fuel ignition process in a hydrogen containing charge. Hydrogen strongly inhibits the ignition of pilot fuel mixtures and therefore requires longer injection duration to create zones with sufficiently high pilot fuel concentration for successful ignition. Results show that ignition typically tends to rely on stochastic pockets with high pilot fuel concentration, which results in poor repeatability of combustion and frequent misfiring. This work has improved the understanding on how the unique chemical properties of hydrogen pose a challenge for maximization of hydrogen's energy share in hydrogen dual-fuel engines and highlights a potential mitigation pathway.

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An improved semi-global intrinsic kinetics model for high temperature carbon oxidation

Proceedings of the Combustion Institute

Shaddix, Christopher R.

Measurements of the oxidation rates of various forms of carbon (soot, graphite, coal char) have often shown an unexplained attenuation with increasing temperatures in the vicinity of 2000 K, even when accounting for diffusional transport limitations and gas-phase chemical effects (e.g. CO2 dissociation). With the development of oxy-fuel combustion approaches for pulverized coal utilization with carbon capture, high particle temperatures are readily achieved in sufficiently oxygen-enriched environments. In this work, a new semi-global intrinsic kinetics model for high temperature carbon oxidation is created by starting with a previously developed 5-step mechanism that was shown to reproduce all major known trends in carbon oxidation, except for its high temperature kinetic falloff, and incorporating a recently discovered surface oxide decomposition step. The predictions of this new model are benchmarked by deploying the kinetic model in a steady-state reacting particle code (SKIPPY) and comparing the simulated results against a carefully measured set of pulverized coal char combustion temperature measurements over a wide range of oxygen concentrations in N2 and CO2 environments. The results show that the inclusion of the spontaneous surface oxide decomposition reaction step significantly improves predictions at high particle temperatures. Furthermore, the simulations reveal that O atoms released from the oxide decomposition step enhance the radical pool in the near-surface region and within the particle interior itself. Incorporation of literature rates for O and OH reactions with the carbon surface results in a reduction in the predicted radical pool concentrations and a very minor enhancement of the overall carbon oxidation rate.

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Machine Learning for Single-Axis Tracker Fault Detection and Classification

Conference Record of the IEEE Photovoltaic Specialists Conference

Transue, Taos; Theristis, Marios; Riley, Daniel

More than 90% of utility-scale photovoltaic (PV) power plants in the US use single-axis trackers (SATs) due to their potential for substantially higher power production over fixed-array systems. However, they are subject to software misconfigurations and mechanical failures, leading to suboptimal tracking accuracy. If failures are left undetected, the overall power yield of the PV power plant is reduced significantly. Robust detection and diagnosis of SAT faults is needed to minimize downtime and ensure continuous and efficient operation. This work presents analytic tools based on machine learning to detect deviations in SAT tracking performance and classify SAT faults.

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An inexact semismooth Newton method with application to adaptive randomized sketching for dynamic optimization

Finite Elements in Analysis and Design

Kouri, Drew P.; Antil, Harbir; Alshehri, Mohammed; Herberg, Evelyn

In many applications, one can only access the inexact gradients and inexact hessian times vector products. Thus it is essential to consider algorithms that can handle such inexact quantities with a guaranteed convergence to solution. An inexact adaptive and provably convergent semismooth Newton method is considered to solve constrained optimization problems. In particular, dynamic optimization problems, which are known to be highly expensive, are the focus. A memory efficient semismooth Newton algorithm is introduced for these problems. The source of efficiency and inexactness is the randomized matrix sketching. Applications to optimization problems constrained by partial differential equations are also considered.

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Fixture Design and Analysis for Multi-axis Mechanical Shock Testing

Conference Proceedings of the Society for Experimental Mechanics Series

Bouma, Adam J.; Schoenherr, Tyler F.; Soine, David E.

Resonant plate shock testing techniques have been used for mechanical shock testing at Sandia for several decades. A mechanical shock qualification test is often done by performing three separate uniaxial tests on a resonant plate to simulate one shock event. Multi-axis mechanical shock activities, in which shock specifications are simultaneously met in different directions during a single shock test event performed in the lab, are not always repeatable and greatly depend on the fixture used during testing. This chapter provides insights into various designs of a concept fixture that includes both resonant plate and angle bracket used for multi-axis shock testing from a modeling and simulation point of view based on the results of finite element modal analysis. Initial model validation and testing performed show substantial excitation of the system under test as the fundamental modes drive the response in all three directions. The response also shows that higher order modes are influencing the system, the axial and transverse response are highly coupled, and tunability is difficult to achieve. By varying the material properties, changing thicknesses, adding masses, and moving the location of the fixture on the resonant plate, the response can be changed significantly. The goal of this work is to identify the parameters that have the greatest influence on the response of the system when using the angle bracket fixture for a mechanical shock test for the intent of tunability of the system.

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COMPARISON BETWEEN FATIGUE AND FRACTURE BEHAVIOR OF PIPELINE STEELS IN PURE AND BLENDED HYDROGEN AT DIFFERENT PRESSURES

American Society of Mechanical Engineers, Pressure Vessels and Piping Division (Publication) PVP

Agnani, Milan; Ronevich, Joseph; San Marchi, Chris

Existing natural gas (NG) pipeline infrastructure can be used to transport gaseous hydrogen (GH2) or blends of NG and hydrogen as low carbon alternatives to NG. Pipeline steels exhibit accelerated fatigue crack growth rates and reduced fracture resistance in the presence of GH2. The hydrogen-assisted fatigue crack growth (HAFCG) rates and hydrogen assisted fracture (HAF) resistance for pipeline steels depend on the hydrogen gas pressure. This study aims to correlate and compare the HAFCG rates of pipeline steels tested in two different gaseous environments at different pressures; high-purity hydrogen (99.9999 % H2) and a blend of nitrogen with 3% hydrogen gas (N2+3%H2). K-controlled FCG tests were performed using compact tension (CT) samples extracted from a vintage X52 (installed in 1962) and a modern X70 (2021) pipeline steel in the different gaseous environments. Subsequently, monotonic fracture tests were performed in the GH2 environment. The HAFCG rates increased with increasing GH2 pressure for both steels, in the ΔK range explored in this study. Nearly identical HAFCG rates were observed for the steels tested in different environments with equivalent fugacity (34.5 bar pure GH2 and 731 bar Blend with 3%H2). The fracture resistance of pipeline steels was significantly reduced in the presence of GH2, even at pressure as low as 1 bar. The reduction in HAF resistance tends to saturate with increasing GH2 pressure. While the fracture resistance of modern steel is substantially higher than vintage steel in air, in high pressure GH2, the HAF resistance is comparable. Similar HAF resistance values were obtained for the respective steels in the pure and blended GH2 environment with similar fugacity. This study confirms that fugacity parameter can be used to correlate HAFCG and HAF behavior of different hydrogen blends. The fracture surface features of the pipeline steels, tested in the different environments are compared to rationalize the observed behavior in GH2.

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ANALYSIS OF THE CHALLENGES IN DEVELOPING SAMPLE-BASED MULTIFIDELITY ESTIMATORS FOR NONDETERMINISTIC MODELS

International Journal for Uncertainty Quantification

Reuter, Bryan W.; Geraci, Gianluca; Wildey, Timothy

Multifidelity (MF) uncertainty quantification (UQ) seeks to leverage and fuse information from a collection of models to achieve greater statistical accuracy with respect to a single-fidelity counterpart, while maintaining an efficient use of computational resources. Despite many recent advancements in MF UQ, several challenges remain and these often limit its practical impact in certain application areas. In this manuscript, we focus on the challenges introduced by nondeterministic models to sampling MF UQ estimators. Nondeterministic models produce different responses for the same inputs, which means their outputs are effectively noisy. MF UQ is complicated by this noise since many state-of-the-art approaches rely on statistics, e.g., the correlation among models, to optimally fuse information and allocate computational resources. We demonstrate how the statistics of the quantities of interest, which impact the design, effectiveness, and use of existing MF UQ techniques, change as functions of the noise. With this in hand, we extend the unifying approximate control variate framework to account for nondeterminism, providing for the first time a rigorous means of comparing the effect of nondeterminism on different multifidelity estimators and analyzing their performance with respect to one another. Numerical examples are presented throughout the manuscript to illustrate and discuss the consequences of the presented theoretical results.

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Case Study on the Effect of Nonlinearity in Dynamic Environment Testing

Conference Proceedings of the Society for Experimental Mechanics Series

Clark, Brennen; Allen, Matthew S.; Pacini, Benjamin R.

While recent research has greatly improved our ability to test and model nonlinear dynamic systems, it is rare that these studies quantify the effect that the nonlinearity would have on failure of the structure of interest. While several very notable exceptions certainly exist, such as the work of Hollkamp et al. on the failure of geometrically nonlinear skin panels for high speed vehicles (see, e.g., Gordon and Hollkamp, Reduced-order models for acoustic response prediction. Technical Report AFRL-RB-WP-TR-2011-3040, Air Force Research Laboratory, AFRL-RB-WP-TR-2011-3040, Dayton, 2011. Issue: AFRL-RB-WP-TR-2011-3040AFRL-RB-WP-TR-2011-3040), other studies have given little consideration to failure. This work studies the effect of common nonlinearities on the failure (and failure margins) of components that undergo durability testing in dynamic environments. This context differs from many engineering applications because one usually assumes that any nonlinearities have been fully exercised during the test.

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Time-resolved quantification of key species and mechanistic insights in low-temperature tetrahydrofuran oxidation

Physical Chemistry Chemical Physics

Demireva, Maria; Au, Kendrew; Hansen, Nils; Sheps, Leonid

We investigate the kinetics and report the time-resolved concentrations of key chemical species in the oxidation of tetrahydrofuran (THF) at 7500 torr and 450-675 K. Experiments are carried out using high-pressure multiplexed photoionization mass spectrometry (MPIMS) combined with tunable vacuum ultraviolet radiation from the Berkely Lab Advanced Light Source. Intermediates and products are quantified using reference photoionization (PI) cross sections, when available, and constrained by a global carbon balance tracking approach at all experimental temperatures simultaneously for the species without reference cross sections. From carbon balancing, we determine time-resolved concentrations for the ROO˙ and ˙OOQOOH radical intermediates, butanedial, and the combined concentration of ketohydroperoxide (KHP) and unsaturated hydroperoxide (UHP) products stemming from the ˙QOOH + O2 reaction. Furthermore, we quantify a product that we tentatively assign as fumaraldehyde, which arises from UHP decomposition via H2O or ˙OH + H loss. The experimentally derived species concentrations are compared with model predictions using the most recent literature THF oxidation mechanism of Fenard et al., (Combust. Flame, 2018, 191, 252-269). Our results indicate that the literature mechanism significantly overestimates THF consumption and the UHP + KHP concentration at our conditions. The model predictions are sensitive to the rate coefficient for the ROO˙ isomerization to ˙QOOH, which is the gateway for radical chain propagating and branching pathways. Comparisons with our recent results for cyclopentane (Demireva et al., Combust. Flame, 2023, 257, 112506) provide insights into the effect of the ether group on reactivity and highlight the need to determine accurate rate coefficients of ROO˙ isomerization and subsequent reactions.

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COMPARISON OF THREE DESIGN ASSESSMENT APPROACHES FOR A 2-LITER CONTAINMENT VESSEL OF A PLUTONIUM AIR TRANSPORT PACKAGE

American Society of Mechanical Engineers, Pressure Vessels and Piping Division (Publication) PVP

Bignell, John; Gilkey, Lindsay N.; Flores, Gregg; Ammerman, Douglas; Starr, Michael J.

Sandia National Laboratories (SNL) has completed a comparative evaluation of three design assessment approaches for a 2-liter (2L) capacity containment vessel (CV) of a novel plutonium air transport (PAT) package designed to survive the hypothetical accident condition (HAC) test sequence defined in Title 10 of the United States (US) Code of Federal Regulations (CFR) Part 71.74(a), which includes a 129 meter per second (m/s) impact of the package into an essentially unyielding target. CVs for hazardous materials transportation packages certified in the US are typically designed per the requirements defined in the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (B&PVC) Section III Division 3 Subsection WB “Class TC Transportation Containments.” For accident conditions, the level D service limits and analysis approaches specified in paragraph WB-3224 are applicable. Data derived from finite element analyses of the 129 m/s impact of the 2L-PAT package were utilized to assess the adequacy of the CV design. Three different CV assessment approaches were investigated and compared, one based on stress intensity limits defined in subparagraph WB-3224.2 for plastic analyses (the stress-based approach), a second based on strain limits defined in subparagraph WB-3224.3, subarticle WB-3700, and Section III Nonmandatory Appendix FF for the alternate strain-based acceptance criteria approach (the strain-based approach), and a third based on failure strain limits derived from a ductile fracture model with dependencies on the stress and strain state of the material, and their histories (the Xue-Wierzbicki (X-W) failure-integral-based approach). This paper gives a brief overview of the 2L-PAT package design, describes the finite element model used to determine stresses and strains in the CV generated by the 129 m/s impact HAC, summarizes the three assessment approaches investigated, discusses the analyses that were performed and the results of those analyses, and provides a comparison between the outcomes of the three assessment approaches.

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Accelerating FEM-Based Corrosion Predictions Using Machine Learning

Journal of the Electrochemical Society

De Zapiain, David M.; Maestas, Demitri; Roop, Matthew; Noell, Philip J.; Melia, Michael A.; Katona, Ryan M.

Highlights Novel protocol for extracting knowledge from previously performed Finite Element corrosion simulations using machine learning. Obtain accurate predictions for corrosion current 5 orders of magnitude faster than Finite Element simulations. Accurate machine learning based model capable of performing an effective and efficient search over the multi-dimensional input space to identify areas/zones where corrosion is more (or less) noticeable.

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Suppressing Post-Fault Active Power Transients in Grid-Forming Inverters

Conference Record of the IEEE Photovoltaic Specialists Conference

Elliott, Ryan T.; Darbali-Zamora, Rachid

With the advent of grid-forming inverters, the question of how they behave during and immediately following short-circuit faults has become of major importance in the choice of control strategy and inverter design. This problem has greatly stimulated activity in the study of power electronics and their effects on large-scale systems, as evidenced by the formation of the Universal Interoperability for Grid-Forming Inverters (UNIFI) Consortium. This paper investigates a particular droop-controlled grid-forming inverter model called REGFM-Al, recently ap-proved for use in system-wide studies by the WECC Modeling and Validation Subcommittee. We show that following 3-phase faults, inverters that behave according to the REGFM-Al specification may inject significant post-fault active power transients. We describe the mechanism by which this occurs and propose a state reset strategy for mitigating the amplitude of these transients. To illustrate the main concepts, we present simulation results for a two-area test system augmented with a 200MVA solar photovoltaic power plant represented as a single equivalent grid-forming inverter. The analysis described in this paper was performed in MATLAB using the Power and Energy Storage Systems Toolbox (PSTess). To validate the model implementation in PSTess, we compared simulation results against GE Vernova's Positive Sequence Load Flow (PSLF) software.

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Robust Data-Driven Predictive Run-to-Run Control for Automated Serial Sectioning

IEEE Control Systems Letters

Polonsky, Andrew; Chao, Paul; Danielson, Claus

This letter presents a one-step predictive run-to-run controller (R2R-MPC) for the automation of mechanical serial sectioning (MSS), a destructive material analysis process. To address the inherent uncertainty and disturbances in the MSS process, a robust closed-loop approach is presented. The robust R2R-MPC models the uncertainty of the MSS process using a linear differential inclusion. As an analytical model of the MSS process is unavailable, the differential inclusion is identified from historical data. The R2R-MPC is posed as an optimization problem that computes incremental changes to the control input which minimize the worst-case material removal errors. This optimization-based controller is combined with a run-to-run controller to provide integral action that rejects constant disturbances and tracks constant reference removal rates. To demonstrate the efficacy of our robust R2R-MPC, we present simulation results which compare the presented controller with a conventional non-robust R2R.

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Nanophotonic Metastructures for Green-Yellow Emission from Non-Planar InGaN Quantum Wells

2024 Conference on Lasers and Electro-Optics, CLEO 2024

Malek, Stephanie C.; Wood, Michael G.; Sovinec, Courtney L.H.; Rice, Anthony; Lee, Stephen R.; Bays, Nathan R.; Bays, Nathan R.; Serkland, Darwin K.

We demonstrate high-efficiency emission at wavelengths longer than 540 nm from InGaN quantum wells regrown on periodic arrays of GaN nanostructures and explore their incorporation into nanophotonic resonators for semiconductor laser development.

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Numerical investigation of closed-loop geothermal systems in deep geothermal reservoirs

Geothermics

White, Mark; Vasyliv, Yaroslav V.; Beckers, Koenraad; Martinez, Mario J.; Balestra, Paolo; Parisi, Carlo; Augustine, Chad; Bran Anleu, Gabriela A.; Horne, Roland; Pauley, Laura; Marshall, Theron; Bernat, Anastasia

Closed-loop geothermal systems (CLGSs) rely on circulation of a heat transfer fluid in a closed-loop design without penetrating the reservoir to extract subsurface heat and bring it to the surface. We developed and applied numerical models to study u-shaped and coaxial CLGSs in hot-dry-rock over a more comprehensive parameter space than has been studied before, including water and supercritical CO2 (sCO2) as working fluids. An economic analysis of each realization was performed to evaluate the levelized cost of heat (LCOH) for direct heating application and levelized cost of electricity (LCOE) for electrical power generation. The results of the parameter study, composed of 2.5 million simulations, combined with a plant and economic model comprise the backbone of a publicly accessible web application that can be used to query, analyze, and plot outlet states, thermal and mechanical power output, and LCOH/LCOE, thereby facilitating feasibility studies led by potential developers, geothermal scientists, or the general public (https://gdr.openei.org/submissions/1473). Our results indicate competitive LCOH can be achieved; however, competitive LCOE cannot be achieved without significant reductions in drilling costs. We also present a site-based case study for multi-lateral systems and discuss how our comprehensive single-lateral analyses can be applied to approximate multi-lateral CLGSs. Looking beyond hot-dry-rock, we detail CLGS studies in permeable wet rock, albeit for a more limited parameter space, indicating that reservoir permeability of greater than 250 mD is necessary to significantly improve CLGS power production, and that reservoir temperatures greater than 200 °C, achieved by going to greater depths (∼3–4 km), may significantly enhance power production.

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Towards the Design of Grid Cyber-Physical Integrated Security Operations Center Visualizations

2024 IEEE Kansas Power and Energy Conference, KPEC 2024

Reyna, Alexander A.; Collins, Taylor J.; Hossain-Mckenzie, Shamina; Blakely, Logan K.; Goes, Christopher E.; Anderson, Ryan; Hubbell, Chris

Network Operation Centers (NOCs) and Security Operation Centers (SOCs) play a critical role in addressing a wide range of threats in critical infrastructure systems such as the electric grid. However, when considering the electric grid and related industrial control systems (ICSs), visibility into the information technology (IT), operational technology (OT), and underlying physical process systems are often disconnected and standalone. As the electric grid becomes increasingly cyber-physical and faces dynamic, cyber-physical threats, it is vital that cyber-physical situational awareness (CPSA) across the interconnected system is achieved. In this paper, we review existing NOC and SOC capabilities and visualizations, motivate the need for CPSA, and define design principles with example visualizations for a next-generation grid cyber-physical integrated SOC (CP-ISOC).

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Frequency Security Index-Based State of Health Monitoring of a Microgrid Using Energy Storage Systems

2024 International Symposium on Power Electronics, Electrical Drives, Automation and Motion, SPEEDAM 2024

Rai, Astha; Bhujel, Niranjan; Tamrakar, Ujjwol; Hummels, Donald; Tonkoski, Reinaldo

In low inertia grids, significant frequency deviations can occur as a result of changes in power (load, generation, etc.), These deviations may activate various protection schemes designed to safeguard the system, potentially leading to blackouts. Therefore, assessing the frequency stability of the power system is crucial. The Frequency Security Index (FSI) serves as a metric for evaluating system stability. However, computing the FSI for a specific load change necessitates actual load changes on the system, which is often impractical. This paper introduces a method for calculating the FSI without requiring load changes for all values. A mathematical expression for the FSI is derived, which uses the values of microgrid parameters (such as inertia and damping constant) to compute the FSI for any load change. Subsequently, the parameters that most significantly affect the FSI are identified. Then, the paper introduces a Moving Horizon Estimation (MHE)-based parameter estimation approach, which leverages small perturbations from an energy storage system to estimate the most influential parameters for the FSI. The results show that the FSI calculation with the estimated parameters is more accurate (compared to COI averaged parameters), enabling a more effective state of health monitoring of the microgrid.

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Characterization of point-source transient events with a rolling-shutter compressed sensing system

Proceedings of SPIE - The International Society for Optical Engineering

Michalenko, Joshua J.; Casias, Lilian K.; Radosevich, Cameron J.; Slater, Jon; Shields, Eric A.

Point-source transient events (PSTEs) - optical events that are both extremely fast and extremely small - pose several challenges to an imaging system. Due to their speed, accurately characterizing such events often requires detectors with very high frame rates. Due to their size, accurately detecting such events requires maintaining coverage over an extended field-of-view, often through the use of imaging focal plane arrays (FPA) with a global shutter readout. Traditional imaging systems that meet these requirements are costly in terms of price, size, weight, power consumption, and data bandwidth, and there is a need for cheaper solutions with adequate temporal and spatial coverage. To address these issues, we develop a novel compressed sensing algorithm adapted to the rolling shutter readout of an imaging system. This approach enables reconstruction of a PSTE signature at the sampling rate of the rolling shutter, offering a 1-2 order of magnitude temporal speedup and a proportional reduction in data bandwidth. We present empirical results demonstrating accurate recovery of PSTEs using measurements that are spatially undersampled by a factor of 25, and our simulations show that, relative to other compressed sensing algorithms, our algorithm is both faster and yields higher quality reconstructions. We also present theoretical results characterizing our algorithm and corroborating simulations. The potential impact of our work includes the development of much faster, cheaper sensor solutions for PSTE detection and characterization.

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Adaptive Battery State Estimation Considering Input Noise Compensation

2024 International Symposium on Power Electronics, Electrical Drives, Automation and Motion, SPEEDAM 2024

Trevizan, Rodrigo D.; Brien, Vittal S.'.; Rao, Vittal S.

A method for battery state of charge (SoC) estimation that compensates input noise using an adaptive square-root unscented Kalman filter (ASRUKF) is presented in this paper. In contrast to traditional state estimation approaches that consider deterministic system inputs, this method can improve the accuracy of battery state estimator by considering that the measurements of the control input variable of the filter, the cell currents, are subject to noise. Also, this paper presents two estimators for input and output noise covariance. The proposed method consists of initialization, state correction, sigma point calculations, state prediction, and covariance estimation steps and is demonstrated using simulations. We simulate two battery cycling protocols of three series-connected batteries whose SoC is estimated by the proposed method. The results show that the improved ASRUKF can track closely the states and achieves a 20.63 % reduction in SoC estimation error when compared to a benchmark that does not consider input noise.

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Wide bandwidth TM tunable vernier rings for heterogeneously integrated lasers

CLEO: Science and Innovations, CLEO: S and I 2024 in Proceedings CLEO 2024, Part of Conference on Lasers and Electro-Optics

Henry, Nathan C.; Martinez, William M.; Sovinec, Courtney L.H.; Friedmann, Thomas A.; Arterburn, Shawn C.; Starbuck, Andrew L.; Dallo, Christina; Pomerene, Andrew; Kodigala, Ashok

We present a novel design of a III-V-on-silicon heterogeneously integrated tunable ring laser, achieving >80 nanometers of tuning bandwidth, the widest conceived using only two rings, fostering many applications such as spectroscopy and beam steering.

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XHVRB Interface Improvements in Multi-Dimensional Explosive Scenarios

Proceedings 17th International Detonation Symposium IDS 2024

Tuttle, Leah W.; Marinis, Ryan T.; Damm, David L.

extended History Variable Reactive Burn (XHVRB) is a reactive flow model that uses shock capturing and includes desensitization effects, offering improved behavior over the work-horse HVRB model in CTH. Previous publications have highlighted the capabilities and shortcomings of XHVRB, in particular noting some non-physical behavior at material interfaces in simulations. This behavior has been mitigated through the addition of some new strategies for shock counting at material interfaces, and improved behavior is demonstrated here in several ID and multi-dimensional scenarios.

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Reactive Burn Model Calibration for Vapor Deposited Hexanitrostilbene and Pentaerythritol Tetranitrate Films Using XHVRB

Proceedings - 17th International Detonation Symposium, IDS 2024

Stewart, James A.; Kittell, David E.; Tappan, Alexander S.; Knepper, Robert A.; Damm, David L.; Bassett, William P.; Tuttle, Leah W.

The eXtended History Variable Reactive Burn (XHVRB) model is parameterized for hexanitrostilbene (HNS) and pentaerythritol tetranitrate (PETN) based on data collected from a series of high-throughput initiation (HTI) experiments. The HTI experiment has generated a wealth of thin-pulse, sub-millimeter shock initiation data for a variety of vapor deposited explosive films. This is because it provides access to growth-to-detonation information for explosives that exhibit a shock-to-detonation transition (SDT) with length and time scales that are too short to be resolved by conventional experiments. The XHVRB model was selected because previous work has shown that simpler, homogeneous reactive burn models (RBMs) were incapable of reproducing the particle velocity buildup observed in experiments with heterogeneous explosives. Therefore, calibrated XHVRB models are developed in an attempt to capture the heterogeneous behavior not captured previously and to assess the models’ ability to capture the SDT across multiple explosive film thicknesses.

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Helium Gas Release by Rocks Undergoing Crushing

58th US Rock Mechanics / Geomechanics Symposium 2024, ARMA 2024

Kibikas, William; Paul, Matthew J.; Wilson, Jennifer E.; Kruichak-Duhigg, Jessica N.; Broome, Scott T.

Geogenic gases often reside in intergranular pore space, fluid inclusions, and within mineral grains. In particular, helium-4 (4He) is generated by alpha decay of uranium and thorium in rocks. The emitted 4He nuclei can be trapped in the rock matrix or in fluid inclusions. Recent work has shown that releases of helium occur during plastic deformation of crustal rocks above atmospheric concentrations that are detectable in the field. However, it is unclear how rock type and deformation modalities affect the cumulative gas released. This work seeks to address how different deformation modalities observed in several rock types affect release of helium. Axial compression tests with granite, rhyolite, tuff, dolostone, and sandstone - under vacuum conditions - were conducted to measure the transient release of helium from each sample during crushing. It was found that, when crushed up to 97500 N, each rock type released helium at a rate quantifiable using a helium mass spectrometer leak detector. For plutonic rock like granite, helium flow rate spikes with the application of force as the samples elastically deform until fracture, then decays slowly until grain breakdown comminution begins to occur. Both the rhyolite and tuff do not experience such large spikes in helium flow rate, with the rhyolites fracturing at much lower force and the tuffs compacting instead of fracturing due to their high porosity. Both rhyolite and tuff instead experience a lesser but steady helium release as they are crushed. The cumulative helium release for the volcanic tuffs varies as much as two orders of magnitude but is fairly consistent for the denser rhyolite and granite tested. The results indicate that there is a large degassing of helium as rocks are elastically and inelastically deformed prior to fracturing. For more porous and less brittle rocks, the cumulative release will depend more on the degree of deformation applied. These results are compared with known U/Th radioisotopes in the rocks to relate the trapped helium as either produced in the rock or from secondary migration of 4He.

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Uncertainty quantification of single and multi-parameter full-waveform inversion through a variational autoencoder

SEG Technical Program Expanded Abstracts

Elmeliegy, Abdelrahman; Sen, Mrinal; Harding, Jennifer L.; Yoon, Hongkyu

Uncertainty quantification (UQ) plays a vital role in addressing the challenges and limitations encountered in full-waveform inversion (FWI). Most UQ methods require parameter sampling which requires many forward and adjoint solves. This often results in very high computational overhead compared to traditional FWI, which hinders the practicality of the UQ for FWI. In this work, we develop an efficient UQ-FWI framework based on unsupervised variational autoencoder (VAE) to assess the uncertainty of single and multi-parameter FWI. The inversion operator is modeled using an encoder-decoder network. The input to the network is seismic shot gathers and the output are samples (distribution) of model parameters. We then use these samples to estimate the mean and standard deviation of each parameter population, which provide insights on the uncertainty in the inversion process. To speed up the UQ process, we carried out the reconstruction in an unsupervised learning approach. Moreover, we physics-constrained the network by injecting the FWI gradients during the backpropagation process, leading to better reconstruction. The computational cost of the proposed approach is comparable to the traditional autoencoder full-waveform inversion (AE-FWI), which is encouraging to be used to get further insight on the quality of the inversion. We apply this idea for synthetic data to show its potential in assessing uncertainty in multi-parameter FWI.

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Functionally graded magnetic materials: a perspective to advance charged particle optics through compositional engineering

Materials Research Letters

Lang, Eric; Milne, Zac; Adamczyk, Jesse; Barrick, Erin J.; Firdosy, Samad; Ury, Nicholas; Dillon, R.P.; Monson, Todd; Kustas, Andrew B.; Jungjohann, Katherine; Hattar, Khalid

Additive manufacturing has ushered in a new paradigm of bottom-up materials-by-design of spatially non-uniform materials. Functionally graded materials have locally tailored compositions to provide optimized global properties and performance. In this letter, we propose an opportunity for the application of graded magnetic materials as lens elements for charged particle optics. A Hiperco50/Hymu80 (FeCo-2 V/Fe-80Ni-5Mo) graded magnetic alloy was successfully additively manufactured via Laser Directed Energy Deposition with spatially varying magnetic properties. The compositional gradient is then applied using computational simulations to demonstrate how a tailored material can enhance the magnetic performance of a critical, image-forming component of a transmission electron microscope.

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Response Limiting in Shaker Shocks

AIAA SciTech Forum and Exposition, 2024

Babuska, Vit; Cap, Jerome S.

The primary goal of any laboratory test is to expose the unit-under-test to conservative realistic representations of a field environment. Satisfying this objective is not always straightforward due to laboratory equipment constraints. For vibration and shock tests performed on shakers over-testing and unrealistic failures can result because the control is a base acceleration and mechanical shakers have nearly infinite impedance. Force limiting and response limiting are relatively standard practices to reduce over-test risks in random-vibration testing. Shaker controller software generally has response limiting as a built-in capability and it is done without much user intervention since vibration control is a closed loop process. Limiting in shaker shocks is done for the same reasons, but because the duration of a shock is only a few milliseconds, limiting is a pre-planned user in the loop process. Shaker shock response limiting has been used for at least 30 years at Sandia National Laboratories, but it seems to be little known or used in industry. This objective of this paper is to re-introduce response limiting for shaker shocks to the aerospace community. The process is demonstrated on the BARBECUE testbed.

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Transient Simulations in Silvaco Victory Device for a N-Type SiC Drift Step Recovery Diode

2024 IEEE International Power Modulator and High Voltage Conference, IPMHVC 2024

Graves, David Z.; Lehmann, Megan; Bilbao, Argenis V.; Bayne, Stephen B.; Schrock, Emily A.

This paper builds upon previous research in developing a SiC Drift Step Recovery Diode (DSRD) Model in Silvaco Victory Device. For this research, the DSRD is based on an N-type substrate for improved manufacturability. The model described in this paper was developed by characterizing DSRD devices under DC and transient conditions. The details of the pulsed power testbed developed for the transient characterization is outlined in this paper. The goal of this model is to allow the rapid development of future pulsed power systems and for further device structure optimization.

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Comparison of Fatigue and Fracture Behavior of Welded and Seamless Pipe Steel in Gaseous Hydrogen

3rd International Symposium on the Recent Developments in Plate Steels, Proceedings

Agnani, Milan; Ronevich, Joseph; San Marchi, Chris

Natural gas pipelines could be an important pathway to transport gaseous hydrogen (GH2) as a cleaner alternative to fossil fuels. However, a comprehensive understanding of hydrogen-assisted fatigue and fracture resistance in pipeline steels is needed, including an assessment of the diverse microstructures present in natural gas infrastructure. In thus study, we focus on modern steel pipe and consider both welded pipe and seamless pipe. In-situ fatigue crack growth (FCG) and fracture tests were conducted on compact tension samples extracted from the base metal, seam-weld, and heat affected zone of an X70 pipe steel in high-purity GH2 (210 bar pressure). Additionally, a seamless X65 pipeline microstructure (with comparable strength) was evaluated to compare the different microstructure of seamless pipe. The different microstructures had comparable FCG rates in GH2, with crack growth rates up to 30 times faster in hydrogen compared to air. In contrast, the fracture resistance in GH2 depended on the characteristics of the microstructure varying in the range of approximately 80 to 110 MPa√m.

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6G Sparse Transmitarray

IEEE Antennas and Propagation Society, AP-S International Symposium (Digest)

Christian, Thomas E.; Christodoulou, Christos G.; Loui, Jacques; Williams, Jeffery T.

This paper proposes a planar aperiodic sparse transmitarray design for 6G with large inter-element spacings. Leveraging aperiodic arrays enhances beamforming and reduces feed network complexity, aligning with 6G demands. Numerical analysis confirms the feasibility and advantages of the design, paving the way for innovative 6G antenna array systems.

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A Comparison of Online Model-Based Anomaly Detection Methods for a Lithium-Ion Battery Cell

2024 International Symposium on Power Electronics, Electrical Drives, Automation and Motion, SPEEDAM 2024

Brien, Vittal S.'.; Trevizan, Rodrigo D.

Deployed Lithium-ion batteries are often equipped with battery management systems (BMSs) that monitor sensor readings, estimate states, and ensure safe operation. Unfortunately, additive bias anomalies could corrupt sensor readings used in state estimation, leading to degraded performance or hazardous conditions. Existing protection features of BMSs can be augmented with model-based anomaly detection by combining battery modeling, estimation, and detection algorithms. In this paper, an equivalent circuit model and charge reservoir model were used to model a battery cell, an unscented Kalman filter was used for estimation, and four online model-based anomaly detection methods (chi-squared test, cumulative sum (CUSUM) algorithm, summation detector, and Shewhart control chart) were compared. When evaluated in terms of false positive rate and detection capability, and the CUSUM algorithm was the superior model-based anomaly detector due to its false positive rate of 0%, its ability to detect large and small magnitude anomalies, and its ability to classify anomalies as positively or negatively biased.

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Smarter Horizontal Single Axis Tracking Using Optimal Positioning Algorithms

Conference Record of the IEEE Photovoltaic Specialists Conference

Byford, Brandon K.; Riley, Daniel

PV systems using horizontal single axis trackers (SATs) generate more energy than PV systems on fixed racking. The most common method of positioning a SAT minimizes the angle of incidence between the PV and the sun while avoiding row-to-row shading, thereby increasing energy production. Another approach, optimal position tracking, uses beyond sun position to attempt to capture the most irradiance possible under conditions where sun tracking is irrelevant (e.g., when a cloud obscures the sun). We present a study displaying the function of our SunDelay algorithm for optimal position tracking in Albuquerque, New Mexico and Eugene, Oregon. The SunDelay algorithm utilizes sun detection from sky imagery, location, and time data to position the panel optimally. The SunDelay algorithm tracks the sun naively throughout the day when the sun is not obscured. Once the sun is obscured in a series of sky images SunDelay makes a decision to either stay tracking naively or position the panel horizontally (towards zenith) to collect more diffuse irradiance. The SunDelay algorithm is compared against naive tracking through simulation, using data obtained from a Multi Planar Irradiance Sensor. The SunDelay algorithm collecting up to 0.2% and 4.7% more irradiance in NM and OR respectively over a month.

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Self-Supervised Mapping and Localization by Predictive Learning

Proceedings - 2024 International Conference on Neuromorphic Systems, ICONS 2024

Bays, Nathan R.; Alexander, Andrew S.; Chance, Frances S.; Hasselmo, Michael E.

Spatial navigation involves the formation of coherent representations of a map-like space, while simultaneously tracking current location in a primarily unsupervised manner. Despite a plethora of neurophysiological experiments revealing spatially-tuned neurons across the mammalian neocortex and subcortical structures, it remains unclear how such representations are acquired in the absence of explicit allocentric targets. Drawing upon the concept of predictive learning, we utilize a biologically plausible learning rule which utilizes sensory-driven observations with internally-driven expectations and learns through a contrastive manner to better predict sensory information. The local and online nature of this approach is ideal for deployment to neuromorphic hardware for edge-applications. We implement this learning rule in a network with the feedforward and feedback pathways known to be necessary for spatial navigation. After training, we find that the receptive fields of the modeled units resemble experimental findings, with allocentric and egocentric representations in the expected order along processing streams. These findings illustrate how a local and self-supervised learning method for predicting sensory information can extract latent structure from the environment.

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A Methodology and Demonstration for Preliminary Tier Determination Analyses

Proceedings of the International Astronautical Congress, IAC

Clayton, Daniel J.

National Security Presidential Memorandum-20 defines three tier levels for launch approval of space nuclear systems. The two main factors determining the tier level are the total quantity and type of radioactive sources and the probability of any member of the public receiving doses above certain thresholds. The total quantity of radioactive sources is compared with International Atomic Energy Agency transportation regulations. The dose probability is determined by the product of three terms: 1) the probability of a launch accident occurring; 2) the probability of a release of radioactive material given an accident; and 3) the probability of exceeding the dose threshold to any member of the public given a release. This paper provides a methodology for evaluating these values and applies this methodology to an example mission as a demonstration. For the example mission, a preliminary tier determination of Tier III was concluded.

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Optimal Fisher Information Equivalency for Power Grid Integration of Renewable Energy

2024 International Symposium on Power Electronics, Electrical Drives, Automation and Motion, SPEEDAM 2024

Wilson, David G.; Robinett, Rush D.; Young, Joseph; Weaver, Wayne W.; Glover, Steven F.; Lehman, Connor A.

Our present electric power grid maximizes spinning inertia of fossil fuel generators (inherent energy storage) to meet stability and performance requirements. Our goal is to begin to investigate the replacement of the large spinning inertia of fossil fuel generators with energy storage systems (ESS) including information flow as a necessary part of the renewable energy sources (RES) and subject to certain criteria. General criteria metrics include: energy storage, information flow, estimation, communication links, central versus decentralized, etc. Our focus is on evaluating the Fisher Information Equivalency (FIE) metric as a multi-criteria trade-off cost function for the minimization of ESS options and information flow. This paper begins with a formal conceptual definition of an infinite bus. Then a simple example of a One Machine Infinite Bus (OMIB) system with a Unified Power Flow Controller (UPFC) to demonstrate the FIE-based approach to minimize the ESS. A second more detailed example of several spinning machines are included with representative power electronic and ESS for RES that are attached to the electric power grid. A simple trade-study begins to highlight requirements to support large penetration of RES. Keep in mind for a large scale high penetration of RES will require large investments in ESS which we want to minimize.

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A Practitioner’s Guide to Local FRF Estimation

Conference Proceedings of the Society for Experimental Mechanics Series

Coletti, Keaton; Schultz, Ryan; Carter, Steven P.

Accurate measurement of frequency response functions is essential for system identification, model updating, and structural health monitoring. However, sensor noise and leakage cause variance and systematic errors in estimated FRFs. Low-noise sensors, windowing techniques, and intelligent experiment design can mitigate these effects but are often limited by practical considerations. This chapter is a guide to implementation of local modeling methods for FRF estimation, which have been extensively researched but are seldom used in practice. Theoretical background is presented, and a procedure for automatically selecting a parameterization and model order is proposed. Computational improvements are discussed that make local modeling feasible for systems with many input and output channels. The methods discussed herein are validated on a simulation example and two experimental examples: a multi-input, multi-output system with three inputs and 84 outputs and a nonlinear beam assembly. They are shown to significantly outperform the traditional H1 and HSVD estimators.

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UTILIZING PROBABILISTIC ANALYSES TO EXPLORE PERFORMANCE MARGINS OF NATURAL GAS INFRASTRUCTURE FOR THE TRANSPORT AND DELIVERY OF HYDROGEN AND HYDROGEN BLENDS

American Society of Mechanical Engineers, Pressure Vessels and Piping Division (Publication) PVP

Schroeder, Benjamin B.; San Marchi, Chris; Ronevich, Joseph; Devin, Michael C.; Duell, Joshua; Potts, Steve

Gaseous hydrogen is known to embrittle most steels, including the steels used in natural gas pipelines. As injection of hydrogen into the existing natural gas infrastructure is considered globally by the pipeline industry, the structural integrity of pipelines transporting gaseous hydrogen must be investigated. Hydrogen Extremely Low Probability of Rupture (HELPR) is a publicly available and open-source probabilistic fatigue and fracture mechanics toolkit recently developed at Sandia National Laboratories. HELPR is intended to incorporate the influence of hydrogen into structural integrity assessments of natural gas transmission and distribution infrastructure. HELPR utilizes engineering models, such as those specified in ASME B31.12 and API 579, with relatively low computational costs to perform large sample ensembles, enabling estimation of performance distributions including low probability tail estimates. Leveraging the probabilistic capabilities built into HELPR, the sensitivity of fatigue and fracture calculations to specific modeling parameters on performance margins can be quantified. Through applying HELPR’s probabilistic capabilities to realistic scenarios, the impact of uncertainty in specific model parameter descriptions on performance margins, such as cycles to unstable crack growth or rupture in gaseous hydrogen, can be characterized; this same approach can then be used to assess the impact of reducing uncertainty sources on the resulting performance metrics, margins, and associated risks. A few industry-motivated scenarios are used to demonstrate this approach.

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Experimental Validation of a Diesel Genset Frequency Dynamics Model for Use in Remote Area Power Systems

IEEE Access

Rauniyar, Manisha; Bhujel, Niranjan; Aryal, Tara; Cicilio, Phylicia; Tamrakar, Ujjwol; Fourney, Robert; Moradi Rekabdarkolaee, Hossein; Shirazi, Mariko; Hansen, Timothy M.; Tonkoski, Reinaldo

Diesel generators (gensets) are often the lowest-cost electric generation for reliable supply in remote microgrids. The development of converter-dominated diesel-backed microgrids requires accurate dynamic modeling to ensure power quality and system stability. Dynamic response derived using original genset system models often does not match those observed in field experiments. This paper presents the experimental system identification of a frequency dynamics model for a 400 kVA diesel genset. The genset is perturbed via active power load changes and a linearized dynamics model is fit based on power and frequency measurements using moving horizon estimation (MHE). The method is first simulated using a detailed genset model developed in MATLAB/Simulink. The simulation model is then validated against the frequency response obtained from a real 400 kVA genset system at the Power System Integration (PSI) Lab at the University of Alaska Fairbanks (UAF). The simulation and experimental results had model errors of 3.17% and 11.65%, respectively. The resulting genset model can then be used in microgrid frequency dynamic studies, such as for the integration of renewable energy sources.

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Data-Driven Affinely Adjustable Robust Volt/VAr Control

IEEE Transactions on Smart Grid

Shi, Naihao; Cheng, Rui; Liu, Liming; Wang, Zhaoyu; Zhang, Qianzhi; Reno, Matthew J.

Recent years have seen the increasing proliferation of distributed energy resources with intermittent power outputs, posing new challenges to the voltage management in distribution networks. To this end, this paper proposes a data-driven affinely adjustable robust Volt/VAr control (AARVVC) scheme, which modulates the smart inverter's reactive power in an affine function of its active power, based on the voltage sensitivities with respect to real/reactive power injections. To achieve a fast and accurate estimation of voltage sensitivities, we propose a data-driven method based on deep neural network (DNN), together with a rule-based bus-selection process using the bidirectional search method. Our method only uses the operating statuses of selected buses as inputs to DNN, thus significantly improving the training efficiency and reducing information redundancy. Finally, a distributed consensus-based solution, based on the alternating direction method of multipliers (ADMM), for the AARVVC is applied to decide the inverter's reactive power adjustment rule with respect to its active power. Only limited information exchange is required between each local agent and the central agent to obtain the slope of the reactive power adjustment rule, and there is no need for the central agent to solve any (sub)optimization problems. Numerical results on the modified IEEE-123 bus system validate the effectiveness and superiority of the proposed data-driven AARVVC method.

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Waveguide Integrated Germanium Photocells in Silicon

CLEO: Science and Innovations, CLEO: S and I 2024 in Proceedings CLEO 2024, Part of Conference on Lasers and Electro-Optics

Sjaardema, T.; Dallo, Christina; Starbuck, Andrew L.; Pomerene, Andrew; Trotter, D.; Gehl, Michael; Kodigala, Ashok

We demonstrate for the first time waveguide integrated cascaded germanium photodetector arrays operated as photocells. We characterize several different array designs, and discuss their effects on voltage and photocurrent performance parameters.

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Detecting Stealthy False Data Injection Attacks in State of Charge Estimation Using Sensor Encoding

IEEE Power and Energy Society General Meeting

Trevizan, Rodrigo D.; Brien, Vittal S.'.; Rao, Vittal S.

This paper introduces a method for detecting stealthy false data injection attacks on the sensors of state of charge estimation algorithms used in battery management systems (BMSs). This method is based on sensor encoding, which is the active modification of sensor data streams. This method implements low-cost verification of the integrity of measurement data, allowing for the detection of stealthy additive attack vectors. It is considered that these attacks are crafted by malicious actors with knowledge of system models and who are capable of tampering with any number of measurements. The solution involves encoding all vulnerable measurements. The effectiveness of the method is demonstrated by simulations, where a stealthy attack on an encoded measurement vector captured by a BMS generates large residuals that trigger a chi-squared anomaly detector. Within the context of a defense-in-depth strategy, this method can be combined with other cybersecurity controls, such as encryption of data-in-transit, to equip cyberphysical systems with an additional line of defense against cyberattacks.

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Possible advantages to using a force-controlled MIMO test method for free-flight environments

Proceedings of ISMA 2024 International Conference on Noise and Vibration Engineering and Usd 2024 International Conference on Uncertainty in Structural Dynamics

Schultz, Ryan; Carter, Steven P.

In general, multiple-input/multiple-output (MIMO) vibration testing utilizes a response-controlled test methodology where specifications are in the form of response quantities at various locations distributed on the device under test (DUT). There are some advantages to this approach, namely that DUT response could be measured in some field environment and directly used as MIMO specifications for subsequent MIMO vibration tests on similar DUTs. However, in some cases it may be advantageous to control the MIMO vibration test at the inputs rather than the responses. One such case is free-flight environments, where the DUT is unconstrained, and all loads come from aerodynamic pressures. In this case, the force-controlled test method is much more robust to system changes such as unit-to-unit variability as compared to a response-controlled test method. This could make force-controlled MIMO test specifications more generalizable and easier to derive. This is exactly akin to transfer path analysis, where pseudo-forces are applicable in special circumstances. This paper will explore the force-controlled test concept and demonstrate it with a numerical example, comparing performance under various conditions vs. the traditional response-controlled test method.

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Adaptive Battery State Estimation Considering Input Noise Compensation

2024 International Symposium on Power Electronics, Electrical Drives, Automation and Motion, SPEEDAM 2024

Trevizan, Rodrigo D.; Brien, Vittal S.'.; Rao, Vittal S.

A method for battery state of charge (SoC) estimation that compensates input noise using an adaptive square-root unscented Kalman filter (ASRUKF) is presented in this paper. In contrast to traditional state estimation approaches that consider deterministic system inputs, this method can improve the accuracy of battery state estimator by considering that the measurements of the control input variable of the filter, the cell currents, are subject to noise. Also, this paper presents two estimators for input and output noise covariance. The proposed method consists of initialization, state correction, sigma point calculations, state prediction, and covariance estimation steps and is demonstrated using simulations. We simulate two battery cycling protocols of three series-connected batteries whose SoC is estimated by the proposed method. The results show that the improved ASRUKF can track closely the states and achieves a 20.63 % reduction in SoC estimation error when compared to a benchmark that does not consider input noise.

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Biomass pretreatment with distillable ionic liquids for an effective recycling and recovery approach

Chemical Engineering Journal

Achinivu, Ezinne C.; Blankenship, Brian W.; Baral, Nawa R.; Choudhary, Hemant; Kakumanu, Ramu; Mohan, Mood; Baidoo, Edward E.K.; George, Anthe; Simmons, Blake A.; Gladden, John M.

Ionic liquid (IL) pretreatment methods show incredible promise for the efficient conversion of lignocellulosic feedstocks to fuels and chemicals. Given their low vapor pressures, distillation-based methods of extracting ionic liquids out of biomass post-pretreatment have historically been ignored in favor of alternative methods. We demonstrate a process to distill four acetate-based ionic liquids ([EthA][OAc], [PropA][OAc], [MAEthA][OAc], and [DMAEthA][OAc]) at low pressure and high purity that overcome some disadvantages of “water washing” and “one pot” recovery methods. Out of four tested ILs, ethanolamine acetate ([EthA][OAc]) is shown to have the most agreeable conversion metrics for commercial bioconversion processes achieving 73.6 % and 51.4 % of theoretical glucose and xylose yields respectively and >85 % recovery rates. Our process metrics are factored into a techno-economic analysis where [EthA][OAc] distillation is compared to other recovery methods as well as ethanolamine pretreatment at both milliliter and liter scales. Although our TEA shows [EthA][OAc] distillation underperforming against other processes, we show a step-by-step avenue to reduce sugar production cost below the wholesale dextrose price at scale.

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Detonation and initiation behavior in vapor-deposited BTF (benzotrifuroxan)

Proceedings 17th International Detonation Symposium IDS 2024

Tappan, Alexander S.; Marquez, Michael P.; Bassett, William P.; Quinn, Jennifer L.; Knepper, Robert A.

The explosive BTF (benzotrifuroxan) is an interesting molecule for sub-millimeter studies of initiation and detonation. It has no hydrogen, thus no water in the detonation products and a subsequently high temperature in the reaction zone. The material has impact sensitivity that is comparable or less than that of PETN (pentaerythritol tetranitrate) and slightly greater than RDX, HMX, and CL-20. Physical vapor deposition (PVD) can be used to grow high-density films of pure explosives with precise control over geometry, and we apply this technique to BTF to study detonation and initiation behavior as a function of sample thickness. The geometrical effects on detonation and corner turning behavior are studied with the critical detonation thickness experiment and the micromushroom test, respectively. Initiation behavior is studied with the high-throughput initiation experiment. Vapor-deposited films of BTF show detonation failure, corner turning, and initiation consistent with a heterogeneous explosive. Scaling of failure thickness to failure diameter shows that BTF has a very small failure diameter.

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Using Component-Based TPA to Translate Vibration Environments Between Versions of the Round-Robin Structure with FRFs Derived from Analytical Models

Conference Proceedings of the Society for Experimental Mechanics Series

Carter, Steven P.; Owens, Brian

This chapter will show the results of a study where component-based transfer path analysis was used to translate vibration environments between versions of the round-robin structure. This was done to evaluate a hybrid approach where the responses were measured experimentally, but the frequency response functions were derived analytically. This work will describe the test setup, force estimation process, response prediction (on the new system), and show comparisons between the predicted and measured responses. Observations will also be made on the applicability of this hybrid approach in more complex systems.

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Geolocation using synthetic aperture radar multilateration

Proceedings of SPIE - The International Society for Optical Engineering

Doerry, Armin W.; Bickel, Douglas L.

A single Synthetic Aperture Radar (SAR) image is a 2-Dimensional projection of a 3-Dimensional scene, with very limited ability to estimate surface topography. However, with multiple SAR images collected from suitably different geometries, they may be compared with multilateration calculations to estimate characteristics of the missing dimension. The ability to employ effective multilateration algorithms is highly dependent on the geometry of the data collections, and can be cast as a least-squares exercise. A measure of Dilution of Precision (DOP) can be used to compare the relative merits of various collection geometries.

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Transient Simulations in Silvaco Victory Device for a N-Type SiC Drift Step Recovery Diode

2024 IEEE International Power Modulator and High Voltage Conference, IPMHVC 2024

Graves, David Z.; Lehmann, Megan; Bilbao, Argenis V.; Bayne, Stephen B.; Schrock, Emily A.

This paper builds upon previous research in developing a SiC Drift Step Recovery Diode (DSRD) Model in Silvaco Victory Device. For this research, the DSRD is based on an N-type substrate for improved manufacturability. The model described in this paper was developed by characterizing DSRD devices under DC and transient conditions. The details of the pulsed power testbed developed for the transient characterization is outlined in this paper. The goal of this model is to allow the rapid development of future pulsed power systems and for further device structure optimization.

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Implementation of the CREST Reactive Burn Model in CTH – Six Years Later

Proceedings - 17th International Detonation Symposium, IDS 2024

Kittell, David E.; Brown, Judith A.; Whitworth, Nicholas; Handley, Caroline; Tuttle, Leah W.

There has always been a desire to port high-fidelity reactive flow models from one code to another. For example, the AWE reactive burn model known as CREST has been or is being implemented in several of the U.S. Department of Energy hydrocodes. Those involved with reactive burn model implementation recognize the challenges immediately, e.g., Eulerian versus Lagrangian frameworks, the form of the equation of state, the closure relations, etc. In this work, we report the development of the CREST reactive burn model in CTH, a multidimensional, multi-material hydrocode developed by Sandia National Laboratories, following an earlier implementation shown at the last International Detonation Symposium. Results include code-to-code comparisons between CTH and the AWE hydrocode PERUSE, focusing on the simulated particle velocity histories during a shock-to-detonation transition, and corresponding to previous gas gun impact experiments as well as new model verification studies. Lessons learned are provided, including discussions of the numerical accuracy, in addition to the role of artificial viscosity and artificial viscous work. Finally, simulation results are shown to compare the Snowplough versus P-Alpha porosity model options.

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Characterization of Hot-carrier Enhanced Pixels for Out-of-band CMOS Camera

2024 IEEE Research and Applications of Photonics in Defense Conference, RAPID 2024 - Proceedings

Spotnitz, Matthew E.; Piontkowski, Zachary T.; Sarma, Raktim; Karl, Nicholas J.; Risley, Mason J.; Campbell, Deanna M.; Anderson, Evan M.; Burckel, David B.

We present optoelectronic characterization of ntype silicon pixels with a suite of plasmonic designs intended to generate and detect electron-hole pairs from incident 1550 nm photons.

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COMPARISON OF THREE DESIGN ASSESSMENT APPROACHES FOR A 2-LITER CONTAINMENT VESSEL OF A PLUTONIUM AIR TRANSPORT PACKAGE

American Society of Mechanical Engineers, Pressure Vessels and Piping Division (Publication) PVP

Bignell, John; Gilkey, Lindsay N.; Flores, Gregg; Ammerman, Douglas; Starr, Michael J.

Sandia National Laboratories (SNL) has completed a comparative evaluation of three design assessment approaches for a 2-liter (2L) capacity containment vessel (CV) of a novel plutonium air transport (PAT) package designed to survive the hypothetical accident condition (HAC) test sequence defined in Title 10 of the United States (US) Code of Federal Regulations (CFR) Part 71.74(a), which includes a 129 meter per second (m/s) impact of the package into an essentially unyielding target. CVs for hazardous materials transportation packages certified in the US are typically designed per the requirements defined in the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (B&PVC) Section III Division 3 Subsection WB “Class TC Transportation Containments.” For accident conditions, the level D service limits and analysis approaches specified in paragraph WB-3224 are applicable. Data derived from finite element analyses of the 129 m/s impact of the 2L-PAT package were utilized to assess the adequacy of the CV design. Three different CV assessment approaches were investigated and compared, one based on stress intensity limits defined in subparagraph WB-3224.2 for plastic analyses (the stress-based approach), a second based on strain limits defined in subparagraph WB-3224.3, subarticle WB-3700, and Section III Nonmandatory Appendix FF for the alternate strain-based acceptance criteria approach (the strain-based approach), and a third based on failure strain limits derived from a ductile fracture model with dependencies on the stress and strain state of the material, and their histories (the Xue-Wierzbicki (X-W) failure-integral-based approach). This paper gives a brief overview of the 2L-PAT package design, describes the finite element model used to determine stresses and strains in the CV generated by the 129 m/s impact HAC, summarizes the three assessment approaches investigated, discusses the analyses that were performed and the results of those analyses, and provides a comparison between the outcomes of the three assessment approaches.

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Towards verifiable cancer digital twins: tissue level modeling protocol for precision medicine

Frontiers in Physiology

Balakrishnan, Uma; Poorey, Kunal; Kemkar, Sharvari; Tao, Mengdi; Ghosh, Alokendra; Stamatakos, Georgios; Graf, Norbert; Trask, Nathaniel; Radhakrishnan, Ravi

Cancer exhibits substantial heterogeneity, manifesting as distinct morphological and molecular variations across tumors, which frequently undermines the efficacy of conventional oncological treatments. Developments in multiomics and sequencing technologies have paved the way for unraveling this heterogeneity. Nevertheless, the complexity of the data gathered from these methods cannot be fully interpreted through multimodal data analysis alone. Mathematical modeling plays a crucial role in delineating the underlying mechanisms to explain sources of heterogeneity using patient-specific data. Intra-tumoral diversity necessitates the development of precision oncology therapies utilizing multiphysics, multiscale mathematical models for cancer. This review discusses recent advancements in computational methodologies for precision oncology, highlighting the potential of cancer digital twins to enhance patient-specific decision-making in clinical settings. We review computational efforts in building patient-informed cellular and tissue-level models for cancer and propose a computational framework that utilizes agent-based modeling as an effective conduit to integrate cancer systems models that encode signaling at the cellular scale with digital twin models that predict tissue-level response in a tumor microenvironment customized to patient information. Furthermore, we discuss machine learning approaches to building surrogates for these complex mathematical models. These surrogates can potentially be used to conduct sensitivity analysis, verification, validation, and uncertainty quantification, which is especially important for tumor studies due to their dynamic nature.

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Detonation and initiation behavior in vapor-deposited BTF (benzotrifuroxan)

Proceedings 17th International Detonation Symposium IDS 2024

Tappan, Alexander S.; Marquez, Michael P.; Bassett, William P.; Quinn, Jennifer L.; Knepper, Robert A.

The explosive BTF (benzotrifuroxan) is an interesting molecule for sub-millimeter studies of initiation and detonation. It has no hydrogen, thus no water in the detonation products and a subsequently high temperature in the reaction zone. The material has impact sensitivity that is comparable or less than that of PETN (pentaerythritol tetranitrate) and slightly greater than RDX, HMX, and CL-20. Physical vapor deposition (PVD) can be used to grow high-density films of pure explosives with precise control over geometry, and we apply this technique to BTF to study detonation and initiation behavior as a function of sample thickness. The geometrical effects on detonation and corner turning behavior are studied with the critical detonation thickness experiment and the micromushroom test, respectively. Initiation behavior is studied with the high-throughput initiation experiment. Vapor-deposited films of BTF show detonation failure, corner turning, and initiation consistent with a heterogeneous explosive. Scaling of failure thickness to failure diameter shows that BTF has a very small failure diameter.

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Effects of Microstructure and Surface Roughness on Initiation Behavior in Vapor-Deposited Explosives

Proceedings 17th International Detonation Symposium IDS 2024

Stewart, James A.; Monti, Joseph M.; Bassett, William P.; Knepper, Robert A.; Damm, David L.

A mesoscale model for the shock initiation of pentaerythritol tetranitrate (PETN) films has been utilized to elucidate changes in initiation thresholds due to aging conditions and surface roughness, as has been observed from a series of high-throughput initiation (HTI) experiments. The HTI experiment has generated a wealth of thin-pulse, sub-millimeter shock initiation data for vapor deposited PETN films with thicknesses of 67-125 μm and varying accelerated aging conditions. This is because the HTI experiment provides access to growth-to-detonation information for explosives that exhibit a shock-to-detonation transition (SDT) with length and time scales that are too short to be resolved by conventional experiments. Mesoscale modeling results using experimentally characterized PETN microstructures are able to capture the general trend observed in experiments, in that increasing flyer impact velocity increases reactions until full detonation is reached. Moreover, the varying degrees of surface roughness that were considered were found to provide only minor variances in the peak particle velocity at the explosive output. The model did not predict a shift in the initiation threshold due to aged microstructures alone, indicating that additional mesoscale model improvements are necessary.

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Benchmarking Transferability Metrics for SAR ATR

Proceedings of SPIE - The International Society for Optical Engineering

Bauer, Johannes; Gonzalez, Efrain H.; Severa, William M.; Vineyard, Craig M.

The lack of large, relevant and labeled datasets for synthetic aperture radar (SAR) automatic target recognition (ATR) poses a challenge for deep neural network approaches. In the case of SAR ATR, transfer learning offers promise where models are pre-trained on either synthetic SAR, alternatively collected SAR, or non-SAR source data and then fine-tuned on a smaller target SAR dataset. The concept being that the neural network can learn fundamental features from the more abundant source domain resulting in high accuracy and robust models when fine-tuned on a smaller target domain. One open question with this transfer learning strategy is how to choose source datasets that will improve accuracy of a target SAR dataset when the model is fine-tuned. Here, we apply a set of model and dataset transferability analysis techniques to investigate the efficacy of transfer learning for SAR ATR. In particular, we examine Optimal Transport Dataset Distance (OTDD), Log Maximum Evidence (LogMe), Log Expected Empirical Prediction (LEEP), Gaussian Bhattacharyya Coefficient (GBC), and H-Score. These methods consider properties such as task relatedness, statistical analysis of learned embedding properties, as well as distribution distances of the source and target domains. We apply these transferability metrics to ResNet18 models trained on a set of Non-SAR as well as SAR datasets. Overall, we present an investigation into quantitatively analyzing transferability for SAR ATR.

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High resolution numerical simulations of methane pool fires using adaptive mesh refinement

Proceedings of the Combustion Institute

Meehan, Michael A.; Hewson, John C.; Hamlington, Peter E.

The ability to accurately predict the structure and dynamics of pool fires using computational simulations is of great interest in a wide variety of applications, including accidental and wildland fires. However, the presence of physical processes spanning a broad range of spatial and temporal scales poses a significant challenge for simulations of such fires, particularly at conditions near the transition between laminar and turbulent flow. In this study, we examine the transition to turbulence in methane pool fires using high-resolution simulations with multi-step finite rate chemistry, where adaptive mesh refinement (AMR) is used to directly resolve small-scale flow phenomena. We perform three simulations of methane pool fires, each with increasing diameter, corresponding to increasing inlet Reynolds and Richardson numbers. As the diameter increases, the flow transitions from organized vortex roll-up via the puffing instability to much more chaotic mixing associated with finger formation along the shear layer and core collapse near the inlet. These effects combine to create additional mixing close to the inlet, thereby enhancing fuel consumption and causing more rapid acceleration of the fluid above the pool. We also make comparisons between the transition to turbulence and core collapse in the present pool fires and in inert helium plumes, which are often used as surrogates for the study of buoyant reacting flows.

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A 6.8 - 9.4 GHz LNA Achieving 36.5 dB Peak Gain, Consuming 4.28 mW with an Adjustable Threshold Limiter for IR-UWB Applications

IEEE MTT-S International Microwave Symposium Digest

Lepkowski, Stefan; Forbes, Travis; Moody, Jesse

This paper presents a low-power staggered tunning LNA with a variable threshold limiter designed for impulse-radio ultra-wideband (IR-UWB). This amplifier has a high gain of 36.5 dB with a 3dB S21 frequency of 6.8 - 9.4 GHz while consuming 4.28 mW from a 0.8 V supply. The input return loss is better than 8 dB across the band and 10 dB from 6.9 GHz. The output return loss is better than 18 dB across the operating bandwidth. At 9 GHz, the minimum noise figure measured is 4.85 dB. The OP1dB compression point is measured at 7.8 GHz as -5.5 dBm. We also present an adjustable threshold limiter, providing additional protection over a typical diode limiter circuit. This amplifier is fabricated in a 45nm PD-SOI process. To the author's knowledge, this LNA demonstrates the highest linear figure of merit (FoM) in C and X band work.

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Experimentation in Exploring Photovoltaic Inverter Dynamics Under Different Irradiance Levels Through a Data-Driven Approach

IEEE Access

Poudel, Bidur; Guruwacharya, Nischal; Subedi, Sunil; Tamrakar, Ujjwol; Wilches-Bernal, Felipe; Rekabdarkolaee, Hossein M.; Hansen, Timothy M.; Tonkoski, Reinaldo

As conventional direct connections of synchronous generators are being phased out, inverter-based resources (IBRs) with grid support functions are increasingly being integrated into power systems. This transition requires the development of accurate dynamic models for IBRs to predict how power systems will adapt to varying levels of IBRs penetration, establish grid code requirements, and ensure compliance. This study introduces an active probing signal-based data-driven modeling technique to accurately derive the dynamics model of a smart photovoltaic inverter operating in Volt-Watt and Freq-Watt modes, in compliance with the IEEE 1547-2018 standard. The paper focuses on investigating how the dynamics of the PV inverter model respond to fluctuations in solar irradiance, utilizing real-time digital simulator experimentation. The experimental analysis demonstrates that the amplitude of dynamics fluctuates with changes in irradiance across both operational modes and confirms the active power's dependence on irradiance levels. Furthermore, the nature of inverter dynamics varies distinctly between the different modes of activation. Critically, our findings indicate that dynamic models require DC-gain adjustments to accommodate contrasting irradiance levels, highlighting a negative gradient linear relationship between the DC-gain of each model and the irradiance.

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Anomaly Detection in Video Using Compression

Proceedings of the International Conference on Multimedia Information Processing and Retrieval, MIPR

Smith, Michael R.; Gooding, Renee; Bisila, Jonathan D.; Ting, Christina

Deep neural networks (DNNs) achieve state-of-the-art performance in video anomaly detection. However, the usage of DNNs is limited in practice due to their computational overhead, generally requiring significant resources and specialized hardware. Further, despite recent progress, current evaluation criteria of video anomaly detection algorithms are flawed, preventing meaningful comparisons among algorithms. In response to these challenges, we propose (1) a compression-based technique referred to as Spatio-Temporal N-Gram Prediction by Partial Matching (STNG PPM) and (2) simple modifications to current evaluation criteria for improved interpretation and broader applicability across algorithms. STNG PMM does not require specialized hardware, has few parameters to tune, and is competitive with DNNs on multiple benchmark data sets in video anomaly detection.

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TECHNICAL BASIS FOR FATIGUE CRACK GROWTH RULES IN GASEOUS HYDROGEN FOR ASME B31.12 CODE CASE 220 AND FOR REVISION OF ASME VIII-3 CODE CASE 2938-1

American Society of Mechanical Engineers, Pressure Vessels and Piping Division (Publication) PVP

San Marchi, Chris; Ronevich, Joseph; Bortot, Paolo; Ortolani, Matteo; Xu, Kang; Rana, Mahendra

Emerging hydrogen technologies span a diverse range of operating environments. High-pressure storage for mobility applications has become commonplace up to about 1,000 bar, whereas transmission of gaseous hydrogen can occur at hydrogen partial pressure of a few bar when blended into natural gas. In the former case, cascade storage is utilized to manage hydrogen-assisted fatigue and the Boiler and Pressure Vessel Code, Section VIII, Division 3 includes fatigue design curves for fracture mechanics design of hydrogen vessels at pressure of 1,030 bar (using a Paris Law formulation). Recent research on hydrogen-assisted fatigue crack growth has shown that a diverse range of ferritic steels show similar fatigue crack growth behavior in gaseous hydrogen environments, including low-carbon steels (e.g., pipeline steels) as well as quench and tempered Cr-Mo and Ni-Cr-Mo pressure vessel steels with tensile strength less than 915 MPa. However, measured fatigue crack growth is sensitive to hydrogen partial pressure and fatigue crack growth can be accelerated in hydrogen at pressure as low as 1 bar. The effect of hydrogen partial pressure from 1 to 1,000 bar can be quantified through a simple semi-empirical correction factor to the fatigue crack growth design curves. This paper documents the technical basis for the pressure-sensitive fatigue crack growth rules for gaseous hydrogen service in ASME B31.12 Code Case 220 and for revision of ASME VIII-3 Code Case 2938-1, including the range of applicability of these fatigue design curves in terms of environmental, materials and mechanics variables.

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Cyclic loading-unloading impacts on salt cavern stability: Implication for underground hydrogen storage

58th US Rock Mechanics / Geomechanics Symposium 2024, ARMA 2024

Chang, Kyung W.; Ross, Tonya S.A.

Underground caverns in salt formations are promising geologic features to store hydrogen (H2) because of salt's extremely low permeability and self-healing behavior.Successful salt-cavern H2 storage schemes must maximize the efficiency of cyclic injection-production while minimizing H2 loss through adjacent damaged salt.The salt cavern storage community, however, has not fully understood the geomechanical behaviors of salt rocks driven by quick operation cycles of H2 injection-production, which may significantly impact the cost-effective storage-recovery performance.Our field-scale generic model captures the impact of combined drag and back stressing on the salt creep behavior corresponding to cycles of compression and extension, which may lead to substantial loss of cavern volumes over time and diminish the cavern performance for H2 storage.Our preliminary findings address that it is essential to develop a new salt constitutive model based on geomechanical tests of site-specific salt rock to probe the cyclic behaviors of salt both beneath and above the dilatancy boundary, including reverse (inverse transient) creep, the Bauschinger effect and fatigue.

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Examining Overdriven State Predictions via Mach Stem Detonation Interactions Using XHVRB

Proceedings - 17th International Detonation Symposium, IDS 2024

Tuttle, Leah W.; Harstad, Eric N.; Kittell, David E.

Explosives exposed to conditions above the Chapman-Jouget (CJ) state exhibit an overdriven response that is transient. Reactive flow models are often fit to the CJ conditions, and they transition to detonation based on inputs lower than or near CJ, but these models may also be used to predict explosive behavior in the overdriven regime. One scenario that can create a strongly overdriven state is a Mach stem shock interaction. These interactions can drive an already detonating or transitioning explosive to an overdriven state, and they can also cause detonation at the interaction location where the separate shocks may be insufficient to detonate the material. In this study, the reactive flow model XHVRB utilizing a Mie-Grüneisen equation of state (EOS) for the unreacted explosive, and a Sesame table for the reacted products, will be used to examine Mach stem interactions from multi-point detonation schemes in CTH. The effect of the overdriven response driven by PETN-based explosive pellets will be tracked to determine the transient detonation behavior, and the predicted states from the burn model will be compared to previously published data.

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Model Validation of a Modular Foam Encapsulated Electronics Assembly with Controlled Preloads via Additively Manufactured Silicone Lattices

Conference Proceedings of the Society for Experimental Mechanics Series

Ballance, Tanner; Lindsey, Bryce; Saraphis, Daniel; Khan, Moheimin Y.; Long, Kevin N.; Kramer, Sharlotte L.; Roberts, Christine

Traditional electronics assemblies are typically packaged using physically or chemically blown potted foams to reduce the effects of shock and vibration. These potting materials have several drawbacks including manufacturing reliability, lack of internal preload control, and poor serviceability. A modular foam encapsulation approach combined with additively manufactured (AM) silicone lattice compression structures can address these issues for packaged electronics. These preloaded silicone lattice structures, known as foam replacement structures (FRSs), are an integral part of the encapsulation approach and must be properly characterized to model the assembly stresses and dynamics. In this study, dynamic test data is used to validate finite element models of an electronics assembly with modular encapsulation and a direct ink write (DIW) AM silicone FRS. A variety of DIW compression architectures are characterized, and their nominal stress-strain behavior is represented with hyperfoam constitutive model parameterizations. Modeling is conducted with Sierra finite element software, specifically with a handoff from assembly preloading and uniaxial compression in Sierra/Solid Mechanics to linear modal and vibration analysis in Sierra/Structural Dynamics. This work demonstrates the application of this advanced modeling workflow, and results show good agreement with test data for both static and dynamic quantities of interest, including preload, modal, and vibration response.

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Direct Visualization of Charge Migration in Bilayer Tantalum Oxide Films by Multimodal Imaging

Advanced Electronic Materials

Flynn-Hepford, Matthew; Lasseter, John; Kravchenko, Ivan; Randolph, Steven; Keum, Jong; Sumpter, Bobby G.; Jesse, Stephen; Maksymovych, Petro; Talin, Albert A.; Marinella, Matthew J.; Rack, Philip D.; Ievlev, Anton V.; Ovchinnikova, Olga S.

Inspired by biological neuromorphic computing, artificial neural networks based on crossbar arrays of bilayer tantalum oxide memristors have shown to be promising alternatives to conventional complementary metal-oxide-semiconductor (CMOS) architectures. In order to understand the driving mechanism in these oxide systems, tantalum oxide films are resistively switched by conductive atomic force microscopy (C-AFM), and subsequently imaged by kelvin probe force microscopy (KPFM) and spatially resolved time-of-flight secondary ion mass spectrometry (ToF-SIMS). These workflows enable induction and analysis of the resistive switching mechanism as well as control over the resistively switched region of the film. In this work it is shown that the resistive switching mechanism is driven by both current and electric field effects. Reversible oxygen motion is enabled by applying low (<1 V) electric fields, while high electric fields generate irreversible breakdown of the material (>1 V). Fully understanding oxygen motion and electrical effects in bilayer oxide memristor systems is a fundamental step toward the adoption of memristors as a neuromorphic computing technology.

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Experiments on Influence of Depressurization Rates and Test Temperatures on Polymers in High- and Low-Pressure Cycling Hydrogen Environments as Applicable to the Hydrogen Infrastructure

American Society of Mechanical Engineers, Pressure Vessels and Piping Division (Publication) PVP

Nissen, April E.H.; Mcarthur, Keri; Mcnair, James D.; Mills, Bernice E.; Simmons, Kevin

Polymers used in hydrogen transportation, production, storage, and dispensing operations of the hydrogen infrastructure are subject to demanding performance temperatures (-60°C to +140°C) and pressures (0.9 MPa to 87 MPa), under static and cycling conditions of hydrogen exposure. Cycling exposures which include pressurization and depressurization stages can particularly affect properties of these soft materials. Other factors such temperature of exposure in hydrogen environments can also play an influential role on polymer degradation behaviors. In this work, we evaluated the influence of varying rates of depressurization (1, 10, 20, 40 MPa/min and uncontrolled) with model elastomer compounds exposed to high-pressure hydrogen cycling (17 MPa to 87 MPa) at ambient temperature. The goal was to develop an understanding of factors that affect rapid gas decompression in elastomers, which is a phenomenon common in hydrogen fueling operations. Cycling was followed by ex-situ characterization for changes in properties. Dynamic Mechanical Thermal Analysis (DMTA), density, compression set, Attenuated Total Reflectance-FTIR (ATR-FTIR), nanoindentation, and X-ray computer tomography were characterization techniques used to compare polymers before and after cycling. Polymer degradation in the form of internal damage was found to increase with rate of depressurization. EPDM showed the most dependence on rates of depressurization, compared to FKM and HNBR formulations. Additionally, filled, and unfilled model compounds of EPDM, FKM, HNBR, and NBR were tested in high-pressure (17 MPa to 87 MPa) and low-pressure (10 MPa to 31 MPa) cycling conditions at -40°C and +85°C. These experiments were performed at a fixed depressurization rate. The goal of these experiments was to better understand temperature effects under pressure cycling conditions for elastomeric polymer seals. Filled formulations of EPDM, HNBR, and NBR exhibited increased compression set and decreased storage modulus under cold cycling exposures to a greater extent than when cycled at ambient. For filled polymers cycled at low pressures at 85°C and -40°C, FKM showed the most resistance to blistering. HNBR and NBR showed heavy swelling and blistering under both these conditions. Micro CT imaging of one of the polymers (EPDM) subjected to high-pressure cycling at 85°C showed great damage in the form of cracks in the center of the sample. Filled formulations exhibited decreased compression set and storage modulus under hot cycling exposures to a greater extent than with cold and ambient cycling. The findings from these studies will help build a strong understanding of polymer behaviors in cycling hydrogen under rapid gas decompression and thermal conditions encountered in fueling operations and storage. Proper material selection for appropriate use-conditions within components is also enabled.

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A Data-Driven Framework for Evaluating the Impacts of Advanced PV Inverter Control Functions

Conference Record of the IEEE Photovoltaic Specialists Conference

Azzolini, Joseph A.; Reno, Matthew J.

All new photovoltaic (PV) systems that interconnect with the power grid must now be capable of various advanced inverter functions that can be leveraged to improve grid conditions and increase PV hosting capacity. However, conventional methods to evaluate the impacts of advanced inverter functions require detailed grid models and time-consuming simulations. To address these drawbacks, a data-driven evaluation framework is proposed that uses historical smart meter measurements to determine how different PV inverter control objectives would impact local grid conditions. The proposed framework was tested on real utility data for the application of hosting capacity analysis, and the results were compared to conventional model-based analyses. Overall, the proposed framework was found to have significant computational advantages without sacrificing accuracy.

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Reliability of the Future Smart Grid and the Role of Energy Storage

2024 International Symposium on Power Electronics, Electrical Drives, Automation and Motion, SPEEDAM 2024

Byrne, Raymond H.; Bera, Atri; Nguyen, Tu A.

The electric power grid is in a state of transition with increasing penetrations of inverter based resources. With power electronics becoming more capable and less expensive, power flow control devices like solid state transformers will become more prevalent. While the advanced capabilities of solid state transformers will improve stability and enable new control approaches, the reliability of solid state transformers will have to be very high to maintain the reliability of the grid today. This paper employs the IEEE 34-bus test feeder configured to represent a future smart grid to explore the impacts of solid state transformers at each node, as well as opportunities for energy storage to improve reliability.

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Frequency Security Index-Based State of Health Monitoring of a Microgrid Using Energy Storage Systems

2024 International Symposium on Power Electronics, Electrical Drives, Automation and Motion, SPEEDAM 2024

Rai, Astha; Bhujel, Niranjan; Tamrakar, Ujjwol; Hummels, Donald; Byrne, Raymond H.; Tonkoski, Reinaldo

In low inertia grids, significant frequency deviations can occur as a result of changes in power (load, generation, etc.), These deviations may activate various protection schemes designed to safeguard the system, potentially leading to blackouts. Therefore, assessing the frequency stability of the power system is crucial. The Frequency Security Index (FSI) serves as a metric for evaluating system stability. However, computing the FSI for a specific load change necessitates actual load changes on the system, which is often impractical. This paper introduces a method for calculating the FSI without requiring load changes for all values. A mathematical expression for the FSI is derived, which uses the values of microgrid parameters (such as inertia and damping constant) to compute the FSI for any load change. Subsequently, the parameters that most significantly affect the FSI are identified. Then, the paper introduces a Moving Horizon Estimation (MHE)-based parameter estimation approach, which leverages small perturbations from an energy storage system to estimate the most influential parameters for the FSI. The results show that the FSI calculation with the estimated parameters is more accurate (compared to COI averaged parameters), enabling a more effective state of health monitoring of the microgrid.

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Demonstration of Output Weighting in MIMO Control

Conference Proceedings of the Society for Experimental Mechanics Series

Schultz, Ryan

Multiple-input/multiple-output (MIMO) vibration control often relies on a least-squares solution utilizing a matrix pseudo-inverse. While this is simple and effective for many cases, it lacks flexibility in assigning preference to specific control channels or degrees of freedom (DOFs). For example, the user may have some DOFs where accuracy is very important and other DOFs where accuracy is less important. This chapter shows a method for assigning weighting to control channels in the MIMO vibration control process. These weights can be constant or frequency-dependent functions depending on the application. An algorithm is presented for automatically selecting DOF weights based on a frequency-dependent data quality metric to ensure the control solution is only using the best, linear data. An example problem is presented to demonstrate the effectiveness of the weighted solution.

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Implementation of the CREST Reactive Burn Model in CTH – Six Years Later

Proceedings - 17th International Detonation Symposium, IDS 2024

Kittell, David E.; Brown, Judith A.; Whitworth, Nicholas; Handley, Caroline; Tuttle, Leah W.

There has always been a desire to port high-fidelity reactive flow models from one code to another. For example, the AWE reactive burn model known as CREST has been or is being implemented in several of the U.S. Department of Energy hydrocodes. Those involved with reactive burn model implementation recognize the challenges immediately, e.g., Eulerian versus Lagrangian frameworks, the form of the equation of state, the closure relations, etc. In this work, we report the development of the CREST reactive burn model in CTH, a multidimensional, multi-material hydrocode developed by Sandia National Laboratories, following an earlier implementation shown at the last International Detonation Symposium. Results include code-to-code comparisons between CTH and the AWE hydrocode PERUSE, focusing on the simulated particle velocity histories during a shock-to-detonation transition, and corresponding to previous gas gun impact experiments as well as new model verification studies. Lessons learned are provided, including discussions of the numerical accuracy, in addition to the role of artificial viscosity and artificial viscous work. Finally, simulation results are shown to compare the Snowplough versus P-Alpha porosity model options.

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Chloride-based Wireline Tool for Measuring Fracture Inflow in Enhanced Geothermal Systems (EGS) Wells: Field Deployment Updates

Transactions - Geothermal Resources Council

Schneider, Melanie B.; Sausan, Sarah; Hartung, Marshall; Horne, Roland; Cochrane, Alfred H.; Su, Jiann-Cherng; Wright, Andrew A.; Myers, Taylor A.; Pope, Joseph S.; Tafoya, Joshua J.

This paper presents the ongoing development of a chloride-based wireline tool designed to detect and quantify inflows from feed zones in geothermal wells. The tool aims to characterize stimulation events in EGS wells at Utah FORGE (Frontier Observatory for Research in Geothermal Energy) and other EGS sites. Successful development of the chloride tool would greatly improve production monitoring of the fractures and enable proactive prescription of additional stimulations over the life of the field, thus helping to improve EGS commercial feasibility. The recent developments of the chloride tool have focused on preparing for and conducting the field deployment at the Utah FORGE site. The field-scale tool assembly features a FORGE sensor package housing the Ion Selective Electrode (ISE), a pH electrode, and a reference electrode, as well as a Mitco PTS sensor package for secondary downhole measurements. A high-temperature logging tool has been developed and tested to capture and transmit data from the chemical sensors to the surface through a 7-conductor wireline cable. Alongside the development of the field-scale tool, flow experiments were carried out in the artificial well system at the Stanford Geothermal Lab. These experiments provided crucial insights into how the chemical tool responds to different variables, including the chloride concentration in the feed zone, its vertical positioning relative to the feed zone, and the presence of other chemical species in the feed zone fluid. The results highlight the tool's sensitivity to various parameters, underscoring the potential of using chloride concentration measurements as a method for inferring feed zone inflow rates in geothermal wells. The tool was successfully deployed at the Utah FORGE site using a wireline truck in the vertical well 58-32 and the directional production well 16B(78)-32.

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Dose Rate Effects on Dynamic Operation of an 8-Bit Microcontroller

2024 RADECS Data Workshop, RADECS 2024 in conjunction with the 2024 RADECS Conference

Goeders, Jeffrey; Wood, Dallin; Meyer, Victoriah; Samson, Cameron; Black, Jeffrey D.; Black, Dolores A.; Wirthlin, Mike

This work presents dose rate testing of an 8-bit microcontroller which executes code during radiation pulses. Multiple different failure modes are observed, which depend on the dose rate and integrated dose received by the device.

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How Climate and Data Quality Impact Photovoltaic Performance Loss Rate Estimations

Solar RRL

Theristis, Marios; Anderson, Kevin S.; Ascencio-Vasquez, Julian; Stein, Joshua

Different data pipelines and statistical methods are applied to photovoltaic (PV) performance datasets to quantify the performance loss rate (PLR). Since the real values of PLR are unknown, a variety of unvalidated values are reported. As such, the PV industry commonly assumes PLR based on statistically extracted ranges from the literature. However, the accuracy and uncertainty of PLR depend on several parameters including seasonality, local climatic conditions, and the response of a particular PV technology. In addition, the specific data pipeline and statistical method used affect the accuracy and uncertainty. To provide insights, a framework of (≈200 million) synthetic simulations of PV performance datasets using data from different climates is developed. Time series with known PLR and data quality are synthesized, and large parametric studies are conducted to examine the accuracy and uncertainty of different statistical approaches over the contiguous US, with an emphasis on the publicly available and “standardized” library, RdTools. In the results, it is confirmed that PLRs from RdTools are unbiased on average, but the accuracy and uncertainty of individual PLR estimates vary with climate zone, data quality, PV technology, and choice of analysis workflow. Best practices and improvement recommendations based on the findings of this study are provided.

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A Scaling Analysis of Post-Detonation Mixing With Detailed Chemical Kinetics

AIAA SciTech Forum and Exposition, 2024

Egeln, Anthony A.; Houim, Ryan W.; Hewson, John C.; Knaus, Robert C.

Numerical simulations were performed in 3D Cartesian coordinates to examine the post-detonation processes produced by the detonation of a 12 mm-diameter hemispherical PETN explosive charge in air. The simulations captured air dissociation by the Mach 20+ shock, chemical equilibration, and afterburning using finite-rate chemical kinetics with a skeletal chemical reaction mechanism. The Becker-Kistiakowsky-Wilson real-gas equation of state is used for the gas-phase. A simplified programmed burn model is used to seamlessly couple the detonation propagation through the explosive charge to the post-detonation reaction processes inside the fireball. Four charge sizes were considered, including diameters of 12 mm, 38 mm, 120 mm, and 1200 mm. The computed blast, shock structures, and chemical composition within the fireball agree with literature. The evolution of the flow at early times is shown to be gas dynamic driven and nearly self-similar when the time and space was scaled. The flow fields were azimuthally averaged and a mixing layer analysis was performed. The results show differences in the temperature and chemical composition with increasing charge size, implying a transition from a chemical kinetic-limited to a mixing-limited regime.

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Entangling quantum logic gates in neutral atoms via the microwave-driven spin-flip blockade

Physical Review A

Jau, Yuan-Yu

The Rydberg dipole blockade has emerged as the standard mechanism to induce entanglement between neutral-Atom qubits. In these protocols, laser fields that couple qubit states to Rydberg states are modulated to implement entangling gates. Here we present an alternative protocol to implement entangling gates via Rydberg dressing and a microwave-field-driven spin-flip blockade [Y.-Y. Jau, Nat. Phys. 12, 71 (2016)1745-247310.1038/nphys3487]. We consider the specific example of qubits encoded in the clock states of cesium. An auxiliary hyperfine state is optically dressed so that it acquires partial Rydberg character. It thus acts as a proxy Rydberg state, with a nonlinear light shift that plays the role of blockade strength. A microwave-frequency field coupling a qubit state to this dressed auxiliary state can be modulated to implement entangling gates. Logic gate protocols designed for the optical regime can be imported to this microwave regime, for which experimental control methods are more robust. We show that unlike the strong dipole-blockade regime usually employed in Rydberg experiments, going to a moderate-spin-flip-blockade regime results in faster gates and smaller Rydberg decay. We study various regimes of operations that can yield high-fidelity two-qubit entangling gates and characterize their analytical behavior. In addition to the inherent robustness of microwave control, we can design these gates to be more robust to laser amplitude and frequency noises at the cost of a small increase in Rydberg decay.

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Spatiotemporal Analyses of News Media Coverage on “Nuclear Waste”: A Natural Language Processing Approach

Nuclear Technology

Sweitzer, Matthew D.; Gunda, Thushara

The siting of nuclear waste is a process that requires consideration of concerns of the public. This report demonstrates the significant potential for natural language processing techniques to gain insights into public narratives around “nuclear waste.” Specifically, the report highlights that the general discourse regarding “nuclear waste” within the news media has fluctuated in prevalence compared to “nuclear” topics broadly over recent years, with commonly mentioned entities reflecting a limited variety of geographies and stakeholders. General sentiments within the “nuclear waste” articles appear to use neutral language, suggesting that a scientific or “facts-only” framing of “waste”-related issues dominates coverage; however, the exact nuances should be further evaluated. The implications of a number of these insights about how nuclear waste is framed in traditional media (e.g., regarding emerging technologies, historical events, and specific organizations) are discussed. This report lays the groundwork for larger, more systematic research using, for example, transformer-based techniques and covariance analysis to better understand relationships among “nuclear waste” and other nuclear topics, sentiments of specific entities, and patterns across space and time (including in a particular region). By identifying priorities and knowledge needs, these data-driven methods can complement and inform engagement strategies that promote dialogue and mutual learning regarding nuclear waste.

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INFLUENCE OF HARDNESS ON HYDROGEN-ASSISTED FRACTURE IN PIPELINE STEELS

Proceedings of the Biennial International Pipeline Conference, IPC

Ronevich, Joseph; Agnani, Milan; Gagliano, Michael; Parker, Jonathan; San Marchi, Chris

To decarbonize the energy sector, there are international efforts to displace carbon-based fuels with renewable alternatives, such as hydrogen. Storage and transportation of gaseous hydrogen are key components of large-scale deployment of carbon-neutral energy technologies, especially storage at scale and transportation over long distances. Due to the high cost of deploying large-scale infrastructure, the existing pipeline network is a potential means of transporting blended natural gas-hydrogen fuels in the near term and carbon-free hydrogen in the future. Much of the existing infrastructure in North America was deployed prior to 1970 when greater variability existed in steel processing and joining techniques often leading to microstructural inhomogeneities and hard spots, which are local regions of elevated hardness relative to the pipe or weld. Hard spots, particularly in older pipes and welds, are a known threat to structural integrity in the presence of hydrogen. High-strength materials are susceptible to hydrogen-assisted fracture, but the susceptibility of hard spots in otherwise low-strength materials (such as vintage pipelines) has not been systematically examined. Assessment of fracture performance of pipeline steels in gaseous hydrogen is a necessary step to establish an approach for structural integrity assessment of pipeline infrastructure for hydrogen service. This approach must include comprehensive understanding of microstructural anomalies (such as hard spots), especially in vintage materials. In this study, fracture resistance of pipeline steels is measured in gaseous hydrogen with a focus on high strength materials and hardness limits established in common practice and in current pipeline codes (such as ASME B31.12). Elastic-plastic fracture toughness measurements were compared for several steel grades to identify the relationship between hardness and fracture resistance in gaseous hydrogen.

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False Data Injection Attack Detection Methods for Battery Stacks with Input Noise

2024 IEEE Power and Energy Society Innovative Smart Grid Technologies Conference, ISGT 2024

Brien, Vittal S.'.; Rao, Vittal S.; Trevizan, Rodrigo D.

Battery systems are typically equipped with state of charge (SoC) estimation algorithms. Sensor measurements used to estimate SoC are susceptible to false data injection attacks (FDIAs) that aim to disturb state estimation and, consequently, damage the system. In this paper, SoC estimation methods are re-purposed to detect FDIAs targeting the current and voltage sensors of a battery stack using a combination of an improved input noise aware unscented Kalman filter (INAUKF) and a cumulative sum detector. The root mean squared error of the states estimated by the INAUKF was at least 85% lower than the traditional unscented Kalman filter for all noise levels tested. The proposed method was able to detect FDIA in the current and voltage sensors of a series-connected battery stack in 99.55% of the simulations.

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Rapid Constrained Object Motion Estimation based on Centroid Localization of Semantically Labeled Objects

IEEE/ASME International Conference on Advanced Intelligent Mechatronics, AIM

Young, Carol C.; Stahoviak, Calvin; Kim, Raymond S.; Slightam, Jonathon E.

Autonomous and semi-autonomous robot manipulation systems require fast classification and localization of objects in the world to realize online generation of motion plans and manipulation waypoints in real-time. Furthermore, constraints and estimated plausible motions of objects of interest in space is paramount for autonomous manipulation tasks. For nongrasping tasks like pushing a box or opening an unlatched door, physical properties such as the center of mass and location of constraints like hinges or bearings must be considered. This paper presents a methodology for rapidly inferring constraints and motion plans for objects of interest to be manipulated. This approach is based on a combination of object detection, instance segmentation, localization methods, and algebraically relating different semantically labeled objects. These methods for motion estimation are implemented on a color-depth camera (RGB-D) and a 7 degree-of-freedom serial robot arm. The algorithm's performance is evaluated through different arm poses, assessing both centroid accuracy and estimation speed, and motion estimation performance. Algorithms are tested on an exemplar problem consisting of a block constrained on a dual linear rail system, i.e., constrained linear motion. Experimental results showcase the scalability of this approach to multiple classes with sublinear slowdowns and linear motion plan direction errors as low as 1.23E-4 [rad]. The manuscript also outlines how these methods for rapid constrained object motion estimation can be leveraged for other applications.

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Accuracy optimized neural networks do not effectively model optic flow tuning in brain area MSTd

Frontiers in Neuroscience

Layton, Oliver W.; Steinmetz, Scott

Accuracy-optimized convolutional neural networks (CNNs) have emerged as highly effective models at predicting neural responses in brain areas along the primate ventral stream, but it is largely unknown whether they effectively model neurons in the complementary primate dorsal stream. We explored how well CNNs model the optic flow tuning properties of neurons in dorsal area MSTd and we compared our results with the Non-Negative Matrix Factorization (NNMF) model, which successfully models many tuning properties of MSTd neurons. To better understand the role of computational properties in the NNMF model that give rise to optic flow tuning that resembles that of MSTd neurons, we created additional CNN model variants that implement key NNMF constraints – non-negative weights and sparse coding of optic flow. While the CNNs and NNMF models both accurately estimate the observer's self-motion from purely translational or rotational optic flow, NNMF and the CNNs with nonnegative weights yield substantially less accurate estimates than the other CNNs when tested on more complex optic flow that combines observer translation and rotation. Despite its poor accuracy, NNMF gives rise to tuning properties that align more closely with those observed in primate MSTd than any of the accuracy-optimized CNNs. This work offers a step toward a deeper understanding of the computational properties and constraints that describe the optic flow tuning of primate area MSTd.

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Prospect for cislunar spacecraft and near-earth asteroid detection using heliostat fields at night

Proceedings of SPIE - The International Society for Optical Engineering

Sandusky, John V.

I experimentally investigated and modeled a proposed frequency-domain method for detecting and tracking cislunar spacecraft and near-earth asteroids using heliostat fields at night. Unlike imaging, which detects spacecraft and asteroids by their streak in star-fixed long-exposure photographs, the proposed detection method oscillates the orientation of heliostats concentrating light from the stellar field and measures the light's photocurrent power spectrum at sub-milliHertz resolution. If heliostat oscillation repetitively traces out a closed loop fixed to the stars, light from spacecraft or asteroids moving along that loop produce photocurrent at a frequency slightly shifted from starlight. The frequency shift is proportional to the spacecraft or asteroid's apparent angular rate relative to sidereal. Relative phase corresponds to relative angular position, enabling tracking. Since heliostats are inexpensive compared to an astronomical observatory and otherwise unused at night, the proposed method may cost-effectively augment observatory systems such as NASA's Asteroid Terrestrial-impact Last Alert System (ATLAS).

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Bio-Inspired Active Silicon Dendrite for Direction Selectivity

Proceedings - 2024 International Conference on Neuromorphic Systems, ICONS 2024

Parker, Luke; Cardwell, Suma G.; Chance, Frances S.; Koziol, Scott

Dendrites enable neurons to perform nonlinear operations. Existing silicon dendrite circuits sufficiently model passive and active characteristics, but do not exploit shunting inhibition as an active mechanism. We present a dendrite circuit implemented on a reconfigurable analog platform that uses active inhibitory conductance signals to modulate the circuit's membrane potential. We explore the potential use of this circuit for direction selectivity by emulating recent observations demonstrating a role for shunting inhibition in a directionally-selective Drosophila (Fruit Fly) neuron.

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Simulated Performance Effect of Torque Tube Twisting in Single-Axis Tracking PV Arrays

Conference Record of the IEEE Photovoltaic Specialists Conference

Anderson, Kevin S.; Hansen, Clifford

Single-axis solar trackers are typically simulated under the assumption that all modules on a given section of torque tube are at a single orientation. In reality, various mechanical effects can cause twisting along the torque tube length, creating variation in module orientation along the row. Simulation of the impact of this on photovoltaic system performance reveals that the performance loss resulting from torque tube twisting is significant at twists as small as fractions of a degree per module. The magnitude of the loss depends strongly on the design of the photovoltaic module, but does not vary significantly across climates. Additionally, simple tracker control setting tweaks were found to substantially reduce the loss for certain types of twist.

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AMR Indicator Effects on Reactive Flow Behavior

Proceedings 17th International Detonation Symposium IDS 2024

Ruggirello, Kevin P.; Tuttle, Leah W.

A new Adaptive Mesh Refinement (AMR) keyword was added to the CTH1 hydrocode developed at Sandia National Laboratories (SNL). The new indicator keyword, "ratec*ycle", allows the user to specify the minimum number of computational cycles before an AMR block is allowed to be un-refined. This option is designed to allow the analyst to control how quickly a block is un-refined to avoid introducing anomalous waves in their solution due to information propagating across mesh resolution changes. For example, in reactive flow simulations it is often desirable to accurately capture the expansion region behind the reaction front. The effect of this new option was examined using the XHVRB2, 3 model for XTX8003 to model the propagation of the detonation wave in explosives in small channels, and also for a simpler explosive model driving a steel case. The effect on computational cost as a function of this new option was also examined.

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Characterization of Hot-carrier Enhanced Pixels for Out-of-band CMOS Camera

2024 IEEE Research and Applications of Photonics in Defense Conference, RAPID 2024 - Proceedings

Spotnitz, Matthew E.; Piontkowski, Zachary T.; Sarma, Raktim; Karl, Nicholas J.; Risley, Mason J.; Anderson, Evan M.; Burckel, David B.

We present optoelectronic characterization of ntype silicon pixels with a suite of plasmonic designs intended to generate and detect electron-hole pairs from incident 1550 nm photons.

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Visualization of post-detonation fireball flowfields and comparison to CFD modeling

Proceedings of the Combustion Institute

Hargis, Joshua W.; Egeln, Anthony A.; Houim, Ryan; Guildenbecher, Daniel R.

Visualization of flow structures within post-detonation fireballs has been performed for benchmark validation of numerical simulations. Custom pressed PETN explosives with a 12-mm diameter hemispherical form factor were used to produce a spherically symmetric post-detonation flow with low soot yield. Hydroxyl-radical planar laser induce fluorescence (OH-PLIF) was employed to visualize the structure ranging from approximately 10μs to 35μs after shock breakout from the explosive pellet. Fireball simulations were performed using the HyBurn Computational Fluid Dynamics (CFD) package. Experimental OH-PLIF results were compared to synthetic OH-PLIF from post-processing of CFD simulations. From the comparison of experimental and synthetic OH-PLIF images, CFD is shown to replicate much of the flow structure observed in the experiments, revealing potential differences in turbulent length scales and OH kinetics. Results provide significant advancement in experimental resolution of these harsh turbulent combustion environments and validate physical models thereof.

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Assessing the Consequences of Postclosure Criticality in Spent Nuclear Fuel

Nuclear Technology

Price, Laura L.; Alsaed, Halim; Basurto, Eduardo; Bays, Nathan R.; Davidson, Gregory; Swinney, Mathew

The U.S. Department of Energy is funding research into studying the consequences of postclosure criticality on the performance of a generic repository by (1) identifying the features, events, and processes (FEPs) that need to be considered in such an analysis, (2) developing the tools needed to model the relevant FEPs in a postclosure performance assessment, and (3) conducting analyses both with and without the occurrence of a postclosure criticality and comparing the results. This paper describes progress in this area of research and presents the results to date of analyzing the consequences of a postulated steady-state criticality in a hypothetical saturated shale repository. Preliminary results indicate that postclosure criticality would not affect repository performance.

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Dynamic Shear and Normal Force Detection in a Soft Insole Using Hybrid Optical & Piezoresistive Sensors

Proceedings of the IEEE RAS and EMBS International Conference on Biomedical Robotics and Biomechatronics

Mcarthur, Daniel; Branyan, Callie A.; Tansel, Derya Z.; Liu, Eric V.; Mazumdar, Anirban; Miera, Alexandria; Rittikaidachar, Michal; Spencer, Steven J.; Wood, David; Wheeler, Jason

The development of multi-axis force sensing ca-pabilities in elastomeric materials has enabled new types of human motion measurement with many potential applications. In this work, we present a new soft insole that enables mobile measurement of ground reaction forces (GRFs) outside of a lab-oratory setting. This insole is based on hybrid shear and normal force detecting (SAND) tactile elements (taxels) consisting of optical sensors optimized for shear sensing and piezoresistive pressure sensors dedicated to normal force measurement. We develop polynomial regression and deep neural network (DNN) GRF prediction models and compare their performance to ground-truth force plate data during two walking experiments. Utilizing a 4-layer DNN, we demonstrate accurate prediction of the anterior-posterior (AP), medial-lateral (ML) and vertical components of the GRF with normalized mean absolute errors (NMAE) of <5.1 %, 4.1 %, and 4.5%, respectively. We also demonstrate the durability of the hybrid SAND insole construction through more than 20,000 cycles of use.

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Expressive Dendrites in Spiking Networks

2024 IEEE Neuro Inspired Computational Elements Conference, NICE 2024 - Proceedings

Plagge, Mark; Cardwell, Suma G.; Chance, Frances S.

As deep learning networks increase in size and performance, so do associated computational costs, approaching prohibitive levels. Dendrites offer powerful nonlinear "on-The-wire"computational capabilities, increasing the expressivity of the point neuron while preserving many of the advantages of SNNs. We seek to demonstrate the potential of dendritic computations by combining them with the low-power event-driven computation of Spiking Neural Networks (SNNs) for deep learning applications. To this end, we have developed a library that adds dendritic computation to SNNs within the PyTorch framework, enabling complex deep learning networks that still retain the low power advantages of SNNs. Our library leverages a dendrite CMOS hardware model to inform the software model, which enables nonlinear computation integrated with snnTorch at scale. By leveraging dendrites in a deep learning framework, we examine the capabilities of dendrites via coincidence detection and comparison in a machine learning task with a SNN. Finally, we discuss potential deep learning applications in the context of current state-of-The-Art deep learning methods and energy-efficient neuromorphic hardware.

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Anomaly Detection in Video Using Compression

Proceedings of the International Conference on Multimedia Information Processing and Retrieval, MIPR

Smith, Michael R.; Gooding, Renee; Bisila, Jonathan D.; Ting, Christina

Deep neural networks (DNNs) achieve state-of-the-art performance in video anomaly detection. However, the usage of DNNs is limited in practice due to their computational overhead, generally requiring significant resources and specialized hardware. Further, despite recent progress, current evaluation criteria of video anomaly detection algorithms are flawed, preventing meaningful comparisons among algorithms. In response to these challenges, we propose (1) a compression-based technique referred to as Spatio-Temporal N-Gram Prediction by Partial Matching (STNG PPM) and (2) simple modifications to current evaluation criteria for improved interpretation and broader applicability across algorithms. STNG PMM does not require specialized hardware, has few parameters to tune, and is competitive with DNNs on multiple benchmark data sets in video anomaly detection.

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Spiking Physics-Informed Neural Networks on Loihi 2

2024 IEEE Neuro Inspired Computational Elements Conference, NICE 2024 - Proceedings

Theilman, Bradley H.; Zhang, Qian; Kahana, Adar; Cyr, Eric C.; Trask, Nathaniel; Aimone, James B.; Karniadakis, George E.

Neuromorphic computing platforms hold the promise to dramatically reduce power requirements for calculations that are computationally intensive. One such application space is scientific machine learning (SciML). Techniques in this space use neural networks to approximate solutions of scientific problems. For instance, the popular physics-informed neural network (PINN) approximates the solution to a partial differential equation by using a trained feed-forward neural network, and injecting the knowledge of the physics through the loss function. Recent efforts have demonstrated how to convert a trained PINN to a spiking network architecture. In this work, we discuss our approach to quantization and implementation required to migrate these spiking PINNs to Intel's Loihi 2 neuromorphic hardware. We explore the effect of quantization on the model accuracy, as well as the energy and throughput characteristics of the implementation. It is our intent that this serve as a starting point for additional SciML implementations on neuromorphic hardware.

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Maximizing the Radar Generalized Image Quality Equation for Bistatic SAR Using Waveform Frequency Agility

IEEE Transactions on Geoscience and Remote Sensing

Summerfield, John R.; Harcke, Leif J.; Conder, Brandon M.; Kasilingam, Dayalan

The radar generalized image quality equation (RGIQE) is a metric used to measure both monostatic and bistatic synthetic aperture radar (BSAR) image quality, it is a function of signal-to-noise ratio (SNR) and 2-D bandwidth. The 2-D bandwidth is equal to the area of the transfer function's (TF) passband region. With the exception of side-looking monostatic geometries, almost all monostatic and bistatic geometries have skewed passband shapes when waveform frequency parameters remain unchanged from pulse to pulse. Most synthetic aperture radar (SAR) applications require a rectangular-shaped passband region, this is achieved by inscribing a rectangular region within the skewed intrinsic passband region. Increasing skewness results in less inscription area reducing 2-D bandwidth, image SNR, and thus RGIQE capacity. In this article, a waveform with frequency agility is used to rectify the skewness that degrades RGIQE capacity. By changing the waveform's center frequency and instantaneous bandwidth from pulse to pulse in a particular manner, the intrinsic passband region can be de-skewed. The de-skewed shape maximizes the inscription area thus maximizing 2-D bandwidth, image SNR, and RGIQE capacity. Three examples are given in this article, one monostatic geometry, and two bistatic geometries. RGIQE capacity is increased by 52.02%, 44.42%, and 79.09% for the three examples.

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UTILIZING PROBABILISTIC ANALYSES TO EXPLORE PERFORMANCE MARGINS OF NATURAL GAS INFRASTRUCTURE FOR THE TRANSPORT AND DELIVERY OF HYDROGEN AND HYDROGEN BLENDS

American Society of Mechanical Engineers, Pressure Vessels and Piping Division (Publication) PVP

Schroeder, Benjamin B.; San Marchi, Chris; Ronevich, Joseph; Duell, Joshua; Potts, Steve

Gaseous hydrogen is known to embrittle most steels, including the steels used in natural gas pipelines. As injection of hydrogen into the existing natural gas infrastructure is considered globally by the pipeline industry, the structural integrity of pipelines transporting gaseous hydrogen must be investigated. Hydrogen Extremely Low Probability of Rupture (HELPR) is a publicly available and open-source probabilistic fatigue and fracture mechanics toolkit recently developed at Sandia National Laboratories. HELPR is intended to incorporate the influence of hydrogen into structural integrity assessments of natural gas transmission and distribution infrastructure. HELPR utilizes engineering models, such as those specified in ASME B31.12 and API 579, with relatively low computational costs to perform large sample ensembles, enabling estimation of performance distributions including low probability tail estimates. Leveraging the probabilistic capabilities built into HELPR, the sensitivity of fatigue and fracture calculations to specific modeling parameters on performance margins can be quantified. Through applying HELPR’s probabilistic capabilities to realistic scenarios, the impact of uncertainty in specific model parameter descriptions on performance margins, such as cycles to unstable crack growth or rupture in gaseous hydrogen, can be characterized; this same approach can then be used to assess the impact of reducing uncertainty sources on the resulting performance metrics, margins, and associated risks. A few industry-motivated scenarios are used to demonstrate this approach.

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Distributed Asynchronous Contact Mechanics with DARMA/vt

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Morales, Nicolas; Jones, Reese E.; Lifflander, Jonathan J.; Pebay, Philippe P.; Mcgovern, Sean T.; Skrzynski, Cezary; Schilly, Caleb W.

Contact mechanics, or the modeling of the impenetrability of solid objects, is fundamental to computational solid mechanics (CSM) applications yet is oftentimes the most challenging in terms of computational efficiency and performance. These challenges arise from the irregularity and highly dynamic nature of contact simulation, particularly with algorithms designed for distributed memory architectures. First among these challenges is the inherent load imbalance when distributing contact load across compute nodes. This imbalance is highly problem dependent, and relates to the surface area of contact manifolds and the volume around them, rather than the distribution of the mesh over compute nodes, meaning the application load can vary drastically over different phases. The dynamic nature of contact problems motivates the use of distributed asynchronous many-tasking (AMT) frameworks to efficiently handle irregular workloads. In this paper, we present our work on distBVH, a distributed contact solution using the DARMA/vt library for asynchronous tasking that is also capable of running on-node Kokkos-based kernels. We explore how distBVH addresses the various challenges of CSM contact problems. We evaluate the use of many of DARMA/vt’s dynamic load balancers and demonstrate how our load balancing approach can provide significant performance improvements on various computational solid mechanics benchmarks. Additionally, we show how our approach can take advantage of DARMA/vt for tasking and efficient on-node kernels using Kokkos to scale over hundreds of processing elements.

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Retrofitted RITS Marx Generator for Laser Triggered Gas Switch Testing

2024 IEEE International Power Modulator and High Voltage Conference, IPMHVC 2024

Allen, Kaylee; Flynn, Max; Mockert, John; Neuber, Andreas; Dickens, James; Stephens, Jacob; Mankowski, John; Smith, Justin K.; Steiner, Adam M.; Leckbee, Joshua

A Marx generator module from the decommissioned RITS pulsed power machine from Sandia National Labs was modified to operate in an existing setup at Texas Tech University. This will ultimately be used as a testbed for laser triggered gas switching. The existing experimental setup at Texas Tech University consists of a large Marx tank, an oil-filled coaxial pulse forming line, an adjustable peaking gap, and load section along with various diagnostics. The setup was previously operated at a lower voltage than the new experiment, so electrostatic modeling was done to ensure viability and drive needed modifications. The oil tank will house the modified RITS Marx. This Marx contains half as many stages as the original RITS module and has an expected output of 1 MV. A trigger Marx generator consisting of 8 stages has been fabricated to trigger the RITS Marx. Charging and triggering of both Marx generators will be controlled through a fiber optic network. The output from the modified RITS Marx will be used to charge the oil-filled coaxial line acting as a low impedance pulse forming line (PFL). Once charged, the self-breaking peaking gap will close, allowing the compressed pulse to be released into the load section. For testing of the Marx module and PFL, a match 10 Ω water load was fabricated. The output pulsewidth is 55 nsec. Diagnostics include two capacitive voltage probes on either side of the peaking gap, a quarter-turn Rogowski coil for load current measurement, and a Pearson coil for calibrations purposes.

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Influence of Reservoir Convection on Heat Extraction with Closed-Loop Geothermal Systems

Transactions - Geothermal Resources Council

Hakes Weston-Dawkes, Raquel S.P.; Bozinoski, Radoslav; Beckers, Koenraad F.; Ketchum, Adam

Over the past few years, advancements in closed-loop geothermal systems (CLGS), also called advanced geothermal systems (AGS), have sparked a renewed interest in these types of designs. CLGS have certain advantages over traditional and enhanced geothermal systems (EGS), including not requiring in-situ reservoir permeability, conservation of the circulating fluid, and allowing for different fluids, including working fluids directly driving a turbine at the surface. CLGS may be attractive in environments where water resources are limited, rock contaminants must be avoided, and stimulation treatments are not available (e.g., due to regulatory or technical reasons). Despite these advantages, CLGS have some challenges, including limited surface area for heat transfer and requiring long wellbores and laterals to obtain multi-MW output in conduction-only reservoirs. CLGS have been investigated in conduction-only systems. In this paper, we explore the impact of both forced and natural convection on the levels of heat extraction with a CLGS deployed in a hot wet rock reservoir. We bound potential benefits of convection by investigating liquid reservoirs over a range of natural and forced convective coefficients. Additionally, we investigate the effects of permeability, porosity, and geothermal temperature gradient in the reservoir on CLGS outputs. Reservoir simulations indicate that reservoir permeabilities of at least ~100 mD are required for natural convection to increase the heat output with respect to a conduction-only scenario. The impact increases with increasing reservoir temperature. When subject to a forced convection flow field, Darcy velocities of at least 10-7 m/s are required to obtain an increase in heat output.

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Uncertainty quantification of single and multi-parameter full-waveform inversion through a variational autoencoder

SEG Technical Program Expanded Abstracts

Elmeliegy, Abdelrahman; Sen, Mrinal; Harding, Jennifer L.; Yoon, Hongkyu

Uncertainty quantification (UQ) plays a vital role in addressing the challenges and limitations encountered in full-waveform inversion (FWI). Most UQ methods require parameter sampling which requires many forward and adjoint solves. This often results in very high computational overhead compared to traditional FWI, which hinders the practicality of the UQ for FWI. In this work, we develop an efficient UQ-FWI framework based on unsupervised variational autoencoder (VAE) to assess the uncertainty of single and multi-parameter FWI. The inversion operator is modeled using an encoder-decoder network. The input to the network is seismic shot gathers and the output are samples (distribution) of model parameters. We then use these samples to estimate the mean and standard deviation of each parameter population, which provide insights on the uncertainty in the inversion process. To speed up the UQ process, we carried out the reconstruction in an unsupervised learning approach. Moreover, we physics-constrained the network by injecting the FWI gradients during the backpropagation process, leading to better reconstruction. The computational cost of the proposed approach is comparable to the traditional autoencoder full-waveform inversion (AE-FWI), which is encouraging to be used to get further insight on the quality of the inversion. We apply this idea for synthetic data to show its potential in assessing uncertainty in multi-parameter FWI.

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SAR ATR Analysis and Implications for Learning

Proceedings of SPIE the International Society for Optical Engineering

Bauer, Johannes; Gonzalez, Efrain H.; Severa, William M.; Vineyard, Craig M.

Deep neural networks for automatic target recognition (ATR) have been shown to be highly successful for a large variety of Synthetic Aperture Radar (SAR) benchmark datasets. However, the black box nature of neural network approaches raises concerns about how models come to their decisions, especially when in high-stake scenarios. Accordingly, a variety of techniques are being pursued seeking to offer understanding of machine learning algorithms. In this paper, we first provide an overview of explainability and interpretability techniques introducing their concepts and the insights they produce. Next we summarize several methods for computing specific approaches to explainability and interpretability as well as analyzing their outputs. Finally, we demonstrate the application of several attribution map methods and apply both attribution analysis metrics as well as localization interpretability analysis to six neural network models trained on the Synthetic and Measured Paired Labeled Experiment (SAMPLE) dataset to illustrate the insights these methods offer for analyzing SAR ATR performance.

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Single Channel Infrasound Detection Using Machine Learning

Albert, Sarah

Infrasound, low frequency sound less than 20 Hz, is generated by both natural and anthropogenic sources. Infrasound sensors measure pressure fluctuations only in the vertical plane and are single channel. However, the most robust infrasound signal detection methods rely on stations with multiple sensors (arrays), despite the fact that these are sparse. Automated methods developed for seismic data, such as short-term average to long-term average ratio (STA/LTA), often have a high false alarm rate when applied to infrasound data. Leveraging single channel infrasound stations has the potential to decrease signal detection limits, though this cannot be done without a reliable detection method. Therefore, this report presents initial results using (1) a convolutional neural network (CNN) to detect infrasound signals and (2) unsupervised learning to gain insight into source type.

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American-Made Geothermal Geophone Prize: Ultra-High Temperature Seismic Tool for Geothermal Wells Summary Report

Schneider, Melanie B.

This work was conducted in support of the American Made Geothermal Prize. The following data summary report presents the testing conducted at Sandia National Labs to validate the performance of the Ultra-High Temperature Seismic Tool for Geothermal Wells. The goal of the testing was to measure the sensitivity of the device to seismic vibrations and reliability of the instrument at elevated temperatures. To this end, two tests were conducted: 1) Ambient Temperature Seismic Testing, which measured the response of the tool to a sweep of frequencies from 1 to 1000 Hz, and 2) Elevated Temperature Survivability Testing which measured the voltage response of the device at 225°C over a month-long testing window. The details of the testing methodology and summary of the tests are presented herein.

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Multilevel Monte Carlo Estimators For Derivative-Free Optimization Under Uncertainty

International Journal for Uncertainty Quantification

Geraci, Gianluca; Menhorn, Friedrich; Seidl, D.T.; Marzouk, Youssef M.; Eldred, Michael S.; Bungartz, Hans-Joachim

Optimization is a key tool for scientific and engineering applications; however, in the presence of models affected by uncertainty, the optimization formulation needs to be extended to consider statistics of the quantity of interest. Optimization under uncertainty (OUU) deals with this endeavor and requires uncertainty quantification analyses at several design locations; i.e., its overall computational cost is proportional to the cost of performing a forward uncertainty analysis at each design location. An OUU workflow has two main components: an inner loop strategy for the computation of statistics of the quantity of interest, and an outer loop optimization strategy tasked with finding the optimal design, given a merit function based on the inner loop statistics. Here, in this work, we propose to alleviate the cost of the inner loop uncertainty analysis by leveraging the so-called multilevel Monte Carlo (MLMC) method, which is able to allocate resources over multiple models with varying accuracy and cost. The resource allocation problem in MLMC is formulated by minimizing the computational cost given a target variance for the estimator. We consider MLMC estimators for statistics usually employed in OUU workflows and solve the corresponding allocation problem. For the outer loop, we consider a derivative-free optimization strategy implemented in the SNOWPAC library; our novel strategy is implemented and released in the Dakota software toolkit. We discuss several numerical test cases to showcase the features and performance of our approach with respect to its Monte Carlo single fidelity counterpart.

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Use of Kerma for Subzone Dimension Specification in Monte Carlo Based Photon Energy Deposition Calculations

Depriest, Kendall R.; Franke, Brian C.

A technique using the photon kerma cross section for a material in combination with the number fraction from a photon energy spectrum has been developed to determine the estimated subzone dimension needed to provide an energy deposition profile in radiation transport calculations. The technique was verified using the ITS code for monoenergetic photon sources and a selection of photon spectra. A Python script was written to use the CEPXS cross-section file with a Rapture calculated transmission spectrum to provide the dimensional estimates in a rapid fashion. The script is available for SNL users through the corporate gitlab server.

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Storage Sizing and Placement Simulation: Quick-Start Case Study User’s Guide

Eddy, John P.; Vining, William F.; Tamrakar, Ujjwol

The Storage Sizing and Placement Simulation (SSIM) application allows a user to define the possible sizes and locations of energy storage elements on an existing grid model defined in OpenDSS. Given these possibilities, the software will automatically search through them and attempt to determine which configurations result in the best overall grid performance. This quick-start guide will go through, in detail, the creation of an SSIM model based on a modified version of the IEEE 34 bus test feeder system. There are two primary parts of this document. The first is a complete list of instructions with little-to-no explanation of the meanings of the actions requested. The second is a detailed description of each input and action stating the intent and effect of each. There are links between the two sections.

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A Spectacular Viscoelastic Model Calibration for 828/D230/Alox Generated from Legacy Sandia Data

Cundiff, Kenneth N.

The nonlinear viscoelastic Spectacular model is calibrated to the thermo-mechanical behavior of 828/D230/Alox with an alox volume fraction of 20 %. Legacy experimental data from Sandia’s polymer properties database (PPD) is used to calibrate the model. Based on known densities of the epoxy 828/D230 and the alox filler, the alox volume fractions listed on the PPD were likely reported incorrectly. The alox volume fractions are recalculated here. Using the recalculated alox volume fractions, the PPD contains experimental data for 828/D230/Alox with alox volume fractions of 16 %, 24 %, and 33 %, so the thermo-mechanical behavior at 20 % alox volume fraction is estimated by interpolating between the bounding cases of of 16 % and 24 %. Because the Spectacularmodel can be fairly challenging to calibrate, the calibration procedure is described in detail. Several of the calibration steps involve inverse parameter identification, where an experiment is simulated and parameters are iteratively updated until the model response matches the experimental data. As the PPD does not fully describe all experimental procedures, the experimental simulations use assumed thermal and mechanical loading rates that are typical for the viscoelastic characterization of epoxies. Spectacular uses four independent relaxation functions related to volumetric (ƒ1), shear (ƒ2), thermal strain (ƒ3), and thermal relaxations (ƒ4). The previous SPEC model form, also known as the universal_polymer model, uses two independent relaxation functions related to volumetric and thermal relaxation (ƒν = ƒ1 = ƒ3 = ƒ4) and shear relaxation (ƒs = ƒ2). The two constitutive choices are briefly evaluated here, where it is found that the four relaxation function approach of Spectacular was better suited for fitting the coefficient of thermal expansion during both heating and cooling.

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MASK4 Test Report

Forbush, Dominic D.; Coe, Ryan G.; Donnelly, Timothy J.; Bacelli, Giorgio; Gallegos-Patterson, Damian; Spinneken, Johannes; Lee, Jantzen; Crandell, Robert; Dullea, Kevin J.

Wave energy converters (WECs) are designed to produce useful work from ocean waves. This useful work can take the form of electrical power or even pressurized water for, e.g., desalination. This report details the findings from a wave tank test focused on that production of useful work. To that end, the experimental system and test were specifically designed to validate models for power transmission throughout the WEC system. Additionally, the validity of co-design informed changes to the power take-off (PTO) were assessed and shown to provide the expected improvements in system performance.

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Demonstration of Model-Based Design for Digital Controller Using Formal Methods

Mayo, Jackson R.; Morris Wright, Karla V.; Aytac, Jon M.; Smith, Andrew M.; Armstrong, Robert C.; Hulette, Geoffrey C.; Lober, Randall R.

This report describes work originally performed in FY19 that assembled a workflow enabling formal verification of high-consequence digital controllers. The approach builds on an engineering analysis strategy using multiple abstraction levels (Model-Based Design) and performs exhaustive formal analysis of appropriate levels – here, state machines and C code – to assure always/never properties of digital logic that cannot be verified by testing alone. The operation of the workflow is illustrated using example models and code, including expected failures of verification when properties are violated.

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Developing an intrinsically secure information barrier for arms control verification through machine learning

Padilla, Eduardo A.; Siefert, Christopher; Komkov, Heidi B.; Tsai, Sarah W.; Weinfurther, Kyle J.; Kamm, Ryan J.; Davis, James H.; Hecht, Adam J.

Near-term solutions are needed to allow for flexible engagement in future nuclear arms control discussions. This project developed a method for implementing an information barrier (IB) on commercial systems, shortening the research and development lifecycle for warhead verification technologies while offering improved and inherently flexible capabilities. The crux of the verification challenge remains the difficulty in developing an authenticatable IB which prevents sensitive host country information from inadvertent transmission to an inspector. Many concepts for IB’s rely on dedicated “trusted” processor modules developed with dedicated custom radiation detection systems and associated algorithms. Without a priori knowledge of the treaty item, the parameter space for measurements can be nearly infinite and robustness against spoofing without the ability to view sensitive data is key. This project has produced an unclassified framework capable of ingesting data from common gamma detectors and identifying the presence of weapons grade nuclear material at over 90% accuracy.

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Characterization of ORNL PSD ASIC

Tiano, Elicia K.O.; Sweany, Melinda D.

The performance of the ORNL ASIC and its readout system was tested with pixelated organic scintillators. We use a pixelated trans-Stilbene scintillator array from Inrad Optics and a pixelated organic glass scintillator array developed at Sandia National Laboratories to characterize the energy and timing resolutions and the pulse-shape discrimination (PSD) figure-of-merit (FoM). The results are compared to previous work in which the same metrics were measured on waveforms digitized at 250 MHz with 14-bit resolution. We found that the PSD FoM at 340 keVee of the ASIC configuration compared to waveform data varied with the scintillator type. We measured a PSD FoM of 1.12 ± 0.14 with the ASIC configuration versus 1.39 ± 0.23 with waveform data using the trans-Stilbene array. We measured a PSD FoM of 0.52 ± 0.18 with the ASIC configuration versus 1.25 ± 0.19 with waveform data using the the organic glass scintillator array. The coincidence timing resolution was measured using two 6x6x6 mm3 cubes of trans-Stilbene. It was measured to be 805 ± 9 ps with the ASIC configuration versus 300 ps on average with waveform data.

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Advancing our understanding of instabilities in high-energy-density systems through the study of benchmark datasets with advanced modeling tools

Shipley, Gabriel A.

Numerous types of pulsed power driven inertial confinement fusion (ICF) and high energy density (HED) systems rely on implosion stability to achieve desired temperatures, pressures, and densities. Sandia National Laboratories Pulsed Power Sciences Center’s main ICF platform, Magnetized Liner Inertial Fusion (MagLIF), suffers from implosion instabilities which limit attainable fuel conditions and can compromise fuel confinement. This Truman Fellowship research primarily focused on computationally exploring (a) methods for improving our understanding of hydrodynamic and magnetohydrodynamic instabilities that form during cylindrical liner implosions, (b) methods for mitigating implosion instabilities, particularly those that degrade performance of MagLIF targets, and (c) novel MagLIF target designs intended to improve target performance primarily via enhanced implosion stability. Several multi-dimensional computational tools were used, including the magnetohydrodynamics code ALEGRA, the radiation-magnetohydrodynamics code HYDRA, and the magnetohydrodynamics code KRAKEN. This research succeeded in executing and analyzing simulations of automagnetizing liner implosions, shockless MagLIF implosions, dynamic screw pinch driven cylindrical liner implosions, and cylindrically convergent HED instability studies. The methods and tools explored and developed in this Truman Fellowship research have been published in several peer-reviewed journal articles and will serve as useful contributions to the fields of pulsed power science and engineering, particularly pertaining to pulsed power ICF and HED science.

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Event Location using Arrival Times from Seismic and Acoustic Phenomena

Koch, Clinton; Berg, Elizabeth M.; Dannemann Dugick, Fransiska; Albert, Sarah; Brogan, Ronald

Accurately locating seismoacoustic sources with geophysical observations helps to monitor natural and anthropogenic phenomena. Sparsely deployed infrasound arrays can readily locate large sources thousands of kms away, but small events typically produce signals observable at only local to regional distances. At such distances, accurate location efforts rely on observations across smaller regional or temporary deployments which often consist of single-channel infrasound sensors that cannot record direction of arrival. Event locations can also be aided by inclusion of ground coupled airwaves (GCA). This study demonstrates how we can robustly locate a catalog of seismoacoustic events using infrasound, GCA, and seismic arrival times at local to near-regional distances. We employ a probabilistic location framework using simplified forward models. Our results indicate that both single-channel infrasound and GCA arrival times can provide accurate estimates of event location in the absence of array-based observations even when using simple models. However, one must carefully choose model uncertainty bounds to avoid underestimation of confidence intervals.

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IDB Database Tables

Schwartz, Steven R.

The International Database of Reference Gamma-Ray Spectra of Various Nuclear Matter is designed to hold curated gamma spectral data is hosted by the International Atomic Energy Agency on its public facing web site. The database used to hold the spectral data was designed by Sandia National Labs under the auspices of the State Department’s Support Program. This document describes the tables and entity relationships that make up the database.

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KOMPASS-II: Compaction of Crushed salt for Safe Containment – Phase 2

Coulibaly, Jibril B.; Friedenberg, Larissa; Bartol, Jeroen; Bays, Nathan R.; Beese, Steffen; Czaikowski, Oliver; De Bresser, Hans; Dusterloh, Uwe; Eickemeier, Ralf; Gartzke, Anne; Hangx, Suzanne; Jantschik, Kyra; Laurich, Ben; Lerch, Christian; Lerche, Svetlana; Ludeling, Christoph; Mills, Melissa M.; Muller-Hoeppe, Nina; Popp, Till; Rabbel, Ole; Rahmig, Michael; Reedlunn, Benjamin; Rogalski, Abram; Rolke, Christopher; Saruulbayar, Nachinzorig; Spiers, Christopher J.; Svensson, Kristoff; Thiedau, Jan; Van Oosterhout, Bart; Zemke, Kornelia

Long-term stable sealing elements are a basic component in the safety concept for a possible repository for heat-emitting radioactive waste in rock salt. The sealing elements will be part of the closure concept for drifts and shafts. They will be made from a welldefinied crushed salt in employ a specific manufacturing process. The use of crushed salt as geotechnical barrier as required by the German Site Selection Act from 2017 /STA 17/ represents a paradigm change in the safety function of crushed salt, since this material was formerly only considered as stabilizing backfill for the host rock. The demonstration of the long-term stability and impermeability of crushed salt is crucial for its use as a geotechnical barrier. The KOMPASS-II project, is a follow-up of the KOMPASS-I project and continues the work with focus on improving the understanding of the thermal-hydraulic-mechanical (THM) coupled processes in crushed salt compaction with the objective to enhance the scientific competence for using crushed salt for the long-term isolation of high-level nuclear waste within rock salt repositories. The project strives for an adequate characterization of the compaction process and the essential influencing parameters, as well as a robust and reliable long-term prognosis using validated constitutive models. For this purpose, experimental studies on long-term compaction tests are combined with microstructural investigations and numerical modeling. The long-term compaction tests in this project focused on the effect of mean stress, deviatoric stress and temperature on the compaction behavior of crushed salt. A laboratory benchmark was performed identifying a variability in compaction behavior. Microstructural investigations were executed with the objective to characterize the influence of pre-compaction procedure, humidity content and grain size/grain size distribution on the overall compaction process of crushed salt with respect to the deformation mechanisms. The created database was used for benchmark calculations aiming for improvement and optimization of a large number of constitutive models available for crushed salt. The models were calibrated, and the improvement process was made visible applying the virtual demonstrator.

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Assessing Uncertainty in Modeling Stress Corrosion Cracking

Mendoza, Hector; Gilkey, Lindsay N.; Brooks, Dusty M.

This report summarizes the collaboration between Sandia National Laboratories (SNL) and the Nuclear Regulatory Commission (NRC) to improve the state of knowledge on chloride induced stress corrosion cracking (CISCC). The foundation of this work relied on using SNL’s CISCC computer code to assess the current state of knowledge for probabilistically modeling CISCC on stainless steel canisters. This work is presented as three tasks. The first task is exploring and independently comparing crack growth rate (CGR) models typically used in CISCC modeling by the research community. The second task is implementing two of the more conservative CGR models from the first task into SNL’s full CISCC code to understand the impact of the different CGR models on a full probabilistic analysis while studying uncertainty from three key input parameters. The combined work of the first two tasks showed that properly measuring salt deposition rates is impactful to reducing uncertainty when modeling CISCC. The work in Task 2 also showed how probabilistic CGR models can be more appropriate at capturing aleatory uncertainty when modeling SCC. Lastly, appropriate and realistic input parameters relevant for CISCC modeling were documented in the last task as a product of the simulations considered in the first two tasks.

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Three-dimensional simulations of magneto-inertial Magnetic-Direct-Drive targets

Weis, Matthew R.; Jennings, Christopher A.; Harvey-Thompson, Adam J.; Yager-Elorriaga, David A.; Fein, Jeffrey R.; Gomez, Matthew R.; Hansen, Stephanie B.; Ruiz, Daniel E.; Slutz, Stephen A.; Shulenburger, Luke N.; Ampleford, David

For the cylindrically symmetric targets that are normally fielded on the Z machine, two dimensional axisymmetric MHD simulations provide the backbone of our target design capability. These simulations capture the essential operation of the target and allow for a wide range of physics to be addressed at a substantially lower computational cost than 3D simulations. This approach, however, makes some approximations that may impact its ability to accurately provide insight into target operation. As an example, in 2D simulations, targets are able to stagnate directly to the axis in a way that is not entirely physical, leading to uncertainty in the impact of the dynamical instabilities that are an important source of degradation for ICF concepts. In this report, we have performed a series of 3D calculations in order to assess the importance of this higher fidelity treatment on MagLIF target performance.

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ASIC Scoping Study Final Report

Brubaker, Erik M.; Sweany, Melinda D.; Tiano, Elicia K.O.; Becker, Eric; Fabris, Lorenzo; Grace, Carl; Hausladen, Paul A.; Johnson, Jyothis; Matta, James T.; Rescia, Sergio; Rose Jr., Paul B.; Wood, Lynn; Kay, Randolph R.

This report documents the results and findings of a one-year scoping study investigating multichannel readout application specific integrated circuits (ASICs) for interfacing to, and processing data from, silicon photomultiplier (SiPM) arrays. We document ASIC desired and required specifications for four applications supporting national security mission areas: neutron radiography, associated particle imaging, and two versions of kinematic neutron imaging cameras. While each application has a few unique requirements that stress capability, there is generally good agreement among most. Two recently developed ASIC devices were evaluated in a system-like configuration by interfacing these to scintillator crystals exposed to gamma and neutron sources. The 64-channel ORNL device delivered functional capability while meeting most mission requirements for neutron radiography. The Nalu Scientific device, a 32-channel full waveform digitizer, did not demonstrate reliable neutron / gamma separation but it is unclear if this was an ASIC issue or problems with test setup or firmware. A literature survey of other commercial and academic ASICs was undertaken to with the conclusion that existing devices do not meet all requirements.

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Predicting EBW detonator failure using DSC data

Journal of Thermal Analysis and Calorimetry

Hobbs, Michael L.

Exploding bridgewire detonators (EBWs) containing pentaerythritol tetranitrate (PETN) exposed to high temperatures may not function following discharge of the design electrical firing signal from a charged capacitor. Knowing functionality of these arbitrarily facing EBWs is crucial when making safety assessments of detonators in accidental fires. Orientation effects are only significant when the PETN is partially melted. Here, the melting temperature can be measured with a differential scanning calorimeter. Nonmelting EBWs will be fully functional provided the detonator never exceeds 406 K (133 °C) for at least 1 h. Conversely, EBWs will not be functional once the average input pellet temperature exceeds 414 K (141 °C) for a least 1 min which is long enough to cause the PETN input pellet to completely melt. Functionality of the EBWs at temperatures between 406 and 414 K will depend on orientation and can be predicted using a stratification model for downward facing detonators but is more complex for arbitrary orientations. A conservative rule of thumb would be to assume that the EBWs are fully functional unless the PETN input pellet has completely melted.

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Accurate equation of state of H2He binary mixtures up to 5.4 GPa

Physical Review. B

Clay III, Raymond C.; Duwal, Sakun; Seagle, Cristopher T.; Zoller, Charlie M.; Hemley, Russell J.; Ryu, Young J.; Tkachev, Sergey; Prakapenka, Vitali; Ahart, Muhtar

Brillouin scattering spectroscopy has been used to obtain an accurate (<1%) ρ-P equation of state (EOS) of 1:1 and 9:1 H2-He molar mixtures from 0.5 to 5.4 GPa at 296 K. Our calculated equations of state indicate close agreement with the experimental data right to the freezing pressure of hydrogen at 5.4 GPa. The measured velocities agree on average, within 0.5%, of an ideal mixing model. The ρ-P EOSs presented have a standard deviation of under 0.3% from the measured densities and under 1% deviation from ideal mixing. Furthermore, a detailed discussion of the accuracy, precision, and sources of error in the measurement and analyses of our equations of state is presented.

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Large Destabilization of (TiVNb)-Based Hydrides via (Al, Mo) Addition: Insights from Experiments and Data-Driven Models

ACS Applied Energy Materials

Pineda Romero, Nayely; Witman, Matthew D.; Harvey, Kim; Stavila, Vitalie; Nassif, Vivian; Elkaim, Erik; Zlotea, Claudia

High-entropy alloys (HEAs) represent an interesting alloying strategy that can yield exceptional performance properties needed across a variety of technology applications, including hydrogen storage. Examples include ultrahigh volumetric capacity materials (BCC alloys → FCC dihydrides) with improved thermodynamics relative to conventional high-capacity metal hydrides (like MgH2), but still further destabilization is needed to reduce operating temperature and increase system-level capacity. In this work, we demonstrate efficient hydride destabilization strategies by synthesizing two new Al0.05(TiVNb)0.95-xMox (x = 0.05, 0.10) compositions. We specifically evaluate the effect of molybdenum (Mo) addition on the phase structure, microstructure, hydrogen absorption, and desorption properties. Both alloys crystallize in a bcc structure with decreasing lattice parameters as the Mo content increases. The alloys can rapidly absorb hydrogen at 25 °C with capacities of 1.78 H/M (2.79 wt %) and 1.79 H/M (2.75 wt %) with increasing Mo content. Pressure-composition isotherms suggest a two-step reaction for hydrogen absorption to a final fcc dihydride phase. The experiments demonstrate that increasing Mo content results in a significant hydride destabilization, which is consistent with predictions from a gradient boosting tree data-driven model for metal hydride thermodynamics. Furthermore, improved desorption properties with increasing Mo content and reversibility were observed by in situ synchrotron X-ray diffraction, in situ neutron diffraction, and thermal desorption spectroscopy.

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Applying Sensor-Based Phase Identification With AMI Voltage in Distribution Systems

IEEE Access

Blakely, Logan K.; Reno, Matthew J.; Azzolini, Joseph A.; Jones, Christian B.; Nordy, David

Accurate distribution system models are becoming increasingly critical for grid modernization tasks, and inaccurate phase labels are one type of modeling error that can have broad impacts on analyses using the distribution system models. This work demonstrates a phase identification methodology that leverages advanced metering infrastructure (AMI) data and additional data streams from sensors (relays in this case) placed throughout the medium-voltage sector of distribution system feeders. Intuitive confidence metrics are employed to increase the credibility of the algorithm predictions and reduce the incidence of false-positive predictions. The method is first demonstrated on a synthetic dataset under known conditions for robustness testing with measurement noise, meter bias, and missing data. Then, four utility feeders are tested, and the algorithm’s predictions are proven to be accurate through field validation by the utility. Lastly, the ability of the method to increase the accuracy of simulated voltages using the corrected model compared to actual measured voltages is demonstrated through quasi-static time-series (QSTS) simulations. The proposed methodology is a good candidate for widespread implementation because it is accurate on both the synthetic and utility test cases and is robust to measurement noise and other issues.

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CO2 adsorption mechanisms at the ZIF-8 interface in a Type 3 porous liquid

Journal of Molecular Liquids

Rimsza, Jessica M.; Hurlock, Matthew; Nenoff, Tina M.; Christian, Matthew S.

Porous liquids (PLs) are an attractive material for gas separation and carbon sequestration due to their permanent internal porosity and high adsorption capacity. PLs that contain zeolitic imidazole frameworks (ZIFs), such as ZIF-8, form PLs through exclusion of aqueous solvents from the framework pore due to its hydrophobicity. The gas adsorption sites in ZIF-8 based PLs are historically unknown; gas molecules could be captured in the ZIF-8 pore or adsorb at the ZIF-8 interface. To address this question, ab initio molecular dynamics was used to predict CO2 binding sites in a PL composed of a ZIF-8 particle solvated in a water, ethylene glycol, and 2-methylimidazole solvent system. Further, the results show that CO2 energetically prefers to reside inside the ZIF-8 pore aperture due to strong van der Waals interactions with the terminal imidazoles. However, the CO2 binding site can be blocked by larger solvent molecules that have greater adsorption interactions. CO2 molecules were unable to diffuse into the ZIF-8 pore, with CO2 adsorption occurring due to binding with the ZIF-8 surface. Therefore, future design of ZIF-based PLs for enhanced CO2 adsorption should be based on the strength of gas binding at the solvated particle surface.

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Performance assessment for climate intervention (PACI): preliminary application to a stratospheric aerosol injection scenario

Frontiers in Environmental Science

Wheeler, Lauren B.; Zeitler, Todd; Brunell, Sarah B.; Lien, Jessica M.; Shand, Lyndsay; Wagman, Benjamin M.; Roesler, Erika L.; Martinez, Carianne; Potter, Kevin M.

As the prospect of exceeding global temperature targets set forth in the Paris Agreement becomes more likely, methods of climate intervention are increasingly being explored. With this increased interest there is a need for an assessment process to understand the range of impacts across different scenarios against a set of performance goals in order to support policy decisions. The methodology and tools developed for Performance Assessment (PA) for nuclear waste repositories shares many similarities with the needs and requirements for a framework for climate intervention. Using PA, we outline and test an evaluation framework for climate intervention, called Performance Assessment for Climate Intervention (PACI) with a focus on Stratospheric Aerosol Injection (SAI). We define a set of key technical components for the example PACI framework which include identifying performance goals, the extent of the system, and identifying which features, events, and processes are relevant and impactful to calculating model output for the system given the performance goals. Having identified a set of performance goals, the performance of the system, including uncertainty, can then be evaluated against these goals. Using the Geoengineering Large Ensemble (GLENS) scenario, we develop a set of performance goals for monthly temperature, precipitation, drought index, soil water, solar flux, and surface runoff. The assessment assumes that targets may be framed in the context of risk-risk via a risk ratio, or the ratio of the risk of exceeding the performance goal for the SAI scenario against the risk of exceeding the performance goal for the emissions scenario. From regional responses, across multiple climate variables, it is then possible to assess which pathway carries lower risk relative to the goals. The assessment is not comprehensive but rather a demonstration of the evaluation of an SAI scenario. Future work is needed to develop a more complete assessment that would provide additional simulations to cover parametric and aleatory uncertainty and enable a deeper understanding of impacts, informed scenario selection, and allow further refinements to the approach.

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pvlib python: 2023 project update

Journal of Open Source Software

Anderson, Kevin S.; Hansen, Clifford; Holmgren, William F.; Mikofski, Mark A.; Jensen, Adam R.; Driesse, Anton

pvlib python is a community-developed, open-source software toolbox for simulating the performance of solar photovoltaic (PV) energy components and systems. It provides reference implementations of over 100 empirical and physics-based models from the peer-reviewed scientific literature, including solar position algorithms, irradiance models, thermal models, and PV electrical models. In addition to individual low-level model implementations, pvlib python provides high-level workflows that chain these models together like building blocks to form complete “weather-to-power” photovoltaic system models. It also provides functions to fetch and import a wide variety of weather datasets useful for PV modeling. pvlib python has been developed since 2013 and follows modern best practices for open-source python software, with comprehensive automated testing, standards-based packaging, and semantic versioning. Its source code is developed openly on GitHub and releases are distributed via the Python Package Index (PyPI) and the conda-forge repository. pvlib python’s source code is made freely available under the permissive BSD-3 license. Here we (the project’s core developers) present an update on pvlib python, describing capability and community development since our 2018 publication (Holmgren, Hansen, & Mikofski, 2018).

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Quantifying uncertainty in analysis of shockless dynamic compression experiments on platinum. II. Bayesian model calibration

Journal of Applied Physics

Brown, Justin L.; Davis, Jean-Paul; Tucker, J.D.; Huerta, Jose G.; Shuler, Kurtis

Dynamic shockless compression experiments provide the ability to explore material behavior at extreme pressures but relatively low temperatures. Typically, the data from these types of experiments are interpreted through an analytic method called Lagrangian analysis. In this work, alternative analysis methods are explored using modern statistical methods. Specifically, Bayesian model calibration is applied to a new set of platinum data shocklessly compressed to 570 GPa. Several platinum equation-of-state models are evaluated, including traditional parametric forms as well as a novel non-parametric model concept. The results are compared to those in Paper I obtained by inverse Lagrangian analysis. The comparisons suggest that Bayesian calibration is not only a viable framework for precise quantification of the compression path, but also reveals insights pertaining to trade-offs surrounding model form selection, sensitivities of the relevant experimental uncertainties, and assumptions and limitations within Lagrangian analysis. The non-parametric model method, in particular, is found to give precise unbiased results and is expected to be useful over a wide range of applications. The calibration results in estimates of the platinum principal isentrope over the full range of experimental pressures to a standard error of 1.6%, which extends the results from Paper I while maintaining the high precision required for the platinum pressure standard.

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Passive and active neutron signatures of 233U for nondestructive assay

Physical Review Applied

Searfus, O.; Marleau, P.; Uribe, Eva; Reedy, Heather A.; Jovanovic, Igor

The thorium fuel cycle is emerging as an attractive alternative to conventional nuclear fuel cycles, as it does not require the enrichment of uranium for long-term sustainability. The operating principle of this fuel cycle is the irradiation of 232Th to produce 233U, which is fissile and sustains the fission chain reaction. 233U poses unique challenges for nuclear safeguards, as it is associated with a uniquely extreme γ-ray environment from 232U contamination, which limits the feasibility of the γ-ray-based assay, as well as more conservative accountability requirements than for 235U set by the International Atomic Energy Agency. Consequently, instrumentation used for safeguarding 235U in traditional fuel cycles may be inapplicable. It is essential that the nondestructive signatures of 233U be characterized so that nuclear safeguards can be applied to thorium fuel-cycle facilities as they come online. In this work, a set of 233U3O8 plates, containing 984 g233U, was measured at the National Criticality Experiments Research Center. A high-pressure 4He gaseous scintillation detector, which is insensitive to γ-rays, was used to perform a passive fast neutron spectral signature measurement of 233U3O8, and was used in conjunction with a pulsed deuterium-tritium neutron generator to demonstrate the differential die-away signature of this material. Furthermore, an array of 3He detectors was used in conjunction with the same neutron generator to measure the delayed neutron time profile of 233U, which is unique to this nuclide. These measurements provide a benchmark for future nondestructive assay instrumentation development, and demonstrate a set of key neutron signatures to be leveraged for nuclear safeguards in the thorium fuel cycle.

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Quantifying uncertainty in analysis of shockless dynamic compression experiments on platinum. I. Inverse Lagrangian analysis

Journal of Applied Physics

Davis, Jean-Paul; Brown, Justin L.

Absolute measurements of solid-material compressibility by magnetically driven shockless dynamic compression experiments to multi-megabar pressures have the potential to greatly improve the accuracy and precision of pressure calibration standards for use in diamond anvil cell experiments. To this end, we apply characteristics-based inverse Lagrangian analysis (ILA) to 11 sets of ramp-compression data on pure platinum (Pt) metal and then reduce the resulting weighted-mean stress-strain curve to the principal isentrope and room-temperature isotherm using simple models for yield stress and Grüneisen parameter. We introduce several improvements to methods for ILA and quasi-isentrope reduction, the latter including calculation of corrections in wave speed instead of stress and pressure to render results largely independent of initial yield stress while enforcing thermodynamic consistency near zero pressure. More importantly, we quantify in detail the propagation of experimental uncertainty through ILA and model uncertainty through quasi-isentrope reduction, considering all potential sources of error except the electrode and window material models used in ILA. Compared to previous approaches, we find larger uncertainty in longitudinal stress. Monte Carlo analysis demonstrates that uncertainty in the yield-stress model constitutes by far the largest contribution to uncertainty in quasi-isentrope reduction corrections. We present a new room-temperature isotherm for Pt up to 444 GPa, with 1-sigma uncertainty at that pressure of just under ± 1.2 % ; the latter is about a factor of three smaller than uncertainty previously reported for multi-megabar ramp-compression experiments on Pt. The result is well represented by a Vinet-form compression curve with (isothermal) bulk modulus K 0 = 270.3 ± 3.8 GPa, pressure derivative K 0 ′ = 5.66 ± 0.10 , and correlation coefficient R K 0 , K 0 ′ = − 0.843 .

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The Roadrunner Trap: A QSCOUT Device

Revelle, Melissa; Delaney, Matthew A.; Haltli, Raymond A.; Heller, Edwin J.; Nordquist, Christopher D.; Ou, Eric; Van Der Wall, Jay W.; Clark, Susan M.

The Roadrunner ion trap is a micro-fabricated surface-electrode ion trap based on silicon technology. This trap has one long linear section and a junction to allow for chain storage and reconfiguration. It uses a symmetric rf-rail design with segmented inner and outer control electrodes and independent control in the junction arms. The trap is fabricated on Sandia’s High Optical Access (HOA) platform to provide good optical access for tightly focused laser beams skimming the trap surface. It is packaged on our custom Bowtie-102 ceramic pin or land grid array packages using a 2.54 mm pitch for backside pins or pads. This trap also includes an rf sensing capacitive divider and tungsten wires for heating or temperature monitoring. The Roadrunner builds on the knowledge gained from previous surface traps fabricated at Sandia while improving ion control capabilities.

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Manganese-based A-site high-entropy perovskite oxide for solar thermochemical hydrogen production

Journal of Materials Chemistry A

Bishop, Sean R.; Liu, Cijie; Liu, Xingbo; King, Keith A.; Sugar, Joshua D.; Mcdaniel, Anthony H.; Salinas, Perla A.; Coker, Eric N.; Bays, Nathan R.; Luo, Jian

Non-stoichiometric perovskite oxides have been studied as a new family of redox oxides for solar thermochemical hydrogen (STCH) production owing to their favourable thermodynamic properties. However, conventional perovskite oxides suffer from limited phase stability and kinetic properties, and poor cyclability. Here, we report a strategy of introducing A-site multi-principal-component mixing to develop a high-entropy perovskite oxide, (La1/6Pr1/6Nd1/6Gd1/6Sr1/6Ba1/6)MnO3 (LPNGSB_Mn), which shows desirable thermodynamic and kinetics properties as well as excellent phase stability and cycling durability. LPNGSB_Mn exhibits enhanced hydrogen production (?77.5 mmol moloxide?1) compared to (La2/3Sr1/3)MnO3 (?53.5 mmol moloxide?1) in a short 1 hour redox duration and high STCH and phase stability for 50 cycles. LPNGSB_Mn possesses a moderate enthalpy of reduction (252.51-296.32 kJ (mol O)?1), a high entropy of reduction (126.95-168.85 J (mol O)?1 K?1), and fast surface oxygen exchange kinetics. All A-site cations do not show observable valence changes during the reduction and oxidation processes. This research preliminarily explores the use of one A-site high-entropy perovskite oxide for STCH.

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Real time lithium metal calendar aging in common battery electrolytes

Frontiers in Batteries and Electrochemistry

Merrill, Laura C.; Long, Daniel M.; Rosenberg, Samantha G.; Bays, Nathan R.; Lam, Nhu; Harrison, Katharine L.

Li metal anodes are highly sought after for high energy density applications in both primary commercial batteries and next-generation rechargeable batteries. In this research, Li metal electrodes are aged in coin cells for a year with electrolytes relevant to both types of batteries. The aging response is monitored via electrochemical impedance spectroscopy, and Li electrodes are characterized post-mortem. It was found that the carbonate-based electrolytes exhibit the most severe aging effects, despite the use of LiBF4-based carbonate electrolytes in Li/CFx Li primary batteries. Highly concentrated LiFSI electrolytes exhibit the most minimal aging effects, with only a small impedance increase with time. This is likely due to the concentrated nature of the electrolyte causing fewer solvent molecules available to react with the electrode surface. LiI-based electrolytes also show improved aging behavior both on their own and as an additive, with a similar impedance response with time as the concentrated LiFSI electrolytes. Since I is in its most reduced state, it likely prevents further reaction and may help protect the Li electrode surface with a primarily organic solid electrolyte interphase.

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Uncovering anisotropic effects of electric high-moment dipoles on the tunneling current in $\delta$-layer tunnel junctions

Scientific Reports

Mendez Granado, Juan P.; Mamaluy, Denis

The precise positioning of dopants in semiconductors using scanning tunneling microscopes has led to the development of planar dopant-based devices, also known as δ layer-based devices, facilitating the exploration of new concepts in classical and quantum computing. Recently, it has been shown that two distinct conductivity regimes (low- and high-bias regimes) exist in δ-layer tunnel junctions due to the presence of quasi-discrete and continuous states in the conduction band of δ-layer systems. Furthermore, discrete charged impurities in the tunnel junction region significantly influence the tunneling rates in δ-layer tunnel junctions. Here we demonstrate that electrical dipoles, i.e. zero-charge defects, present in the tunnel junction region can also significantly alter the tunneling rate, depending, however, on the specific conductivity regime, and orientation and moment of the dipole. In the low-bias regime, with high-resistance tunneling mode, dipoles of nearly all orientations and moments can alter the current, indicating the extreme sensitivity of the tunneling current to the slightest imperfection in the tunnel gap. In the high-bias regime, with low-resistivity, only dipoles with high moments and oriented in the directions perpendicular to the electron tunneling direction can significantly affect the current, thus making this conductivity regime significantly less prone to the influence of dipole defects with low-moments or oriented in the direction parallel to the tunneling.

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Pressure-based process monitoring of direct-ink write material extrusion additive manufacturing

Additive Manufacturing

Kopatz, Jessica W.; Reinholtz, William D.; Cook, Adam W.; Tappan, Alexander S.; Grillet, Anne M.

As additive manufacturing (AM) has become a reliable method for creating complex and unique hardware rapidly, the quality assurance of printed parts remains a priority. In situ process monitoring offers an approach for performing quality control while simultaneously minimizing post-production inspection. For extrusion printing processes, direct linkages between extrusion pressure fluctuations and print defects can be established by integrating pressure sensors onto the print head. In this work, the sensitivity of process monitoring is tested using engineered spherical defects. Pressure and force sensors located near an ink reservoir and just before the nozzle are shown to assist in identification of air bubbles, changes in height between the print head and build surface, clogs, and particle aggregates with a detection threshold of 60–70% of the nozzle diameter. Visual evidence of printed bead distortion is quantified using optical image analysis and correlated to pressure measurements. Importantly, this methodology provides an ability to monitor the quality of AM parts produced by extrusion printing methods and can be accomplished using commonly available pressure-sensing equipment.

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