Publications

Through atomistic simulations, we uncover the dynamic properties of the Cantor alloy under shock-loading conditions and characterize its equation-of-state over a wide range of densities and pressures along with spall strength at ultra-high strain rates. Simulation results reveal the role of local phase transformations during the development of the shock wave on the alloy's high spall strength. The simulated shock Hugoniot results are in remarkable agreement with experimental data, validating the predictability of the model. These mechanistic insights along with the quantification of dynamical properties can drive further advancements in various applications of this class of alloys under extreme environments.

This work investigates the low- and high-temperature ignition and combustion processes, applied to the Engine Combustion Network Spray A flame, combining advanced optical diagnostics and large-eddy simulations (LES). Simultaneous high-speed (50 kHz) formaldehyde (CH2O) planar laser-induced fluorescence (PLIF) and line-of-sight OH* chemiluminescence imaging were used to measure the low- and high-temperature flame, during ignition as well as during quasi-steady combustion. While tracking the cool flame at the laser sheet plane, the present experimental setup allows detection of distinct ignition spots and dynamic fluctuations of the lift-off length over time, which overcomes limitations for flame tracking when using schlieren imaging [Sim et al.Proc. Combust. Inst. 38 (4) (2021) 5713–5721]. After significant development to improve LES prediction of the low-and high-temperature flame position, both during the ignition processes and quasi-steady combustion, the simulations were analyzed to gain understanding of the mixture variance and how this variance affects formation/consumption of CH2O. Analysis of the high-temperature ignition period shows that a key improvement in the LES is the ability to predict heterogeneous ignition sites, not only in the head of the jet, but in shear layers at the jet edge close to the position where flame lift-off eventually stabilizes. The LES analysis also shows concentrated pockets of CH2O, in the center of jet and at 20 mm downstream of the injector (in regions where the equivalence ratio is greater than 6), that are of similar length scale and frequency as the experiment (approximately 5–6 kHz). The periodic oscillation of CH2O match the frequency of pressure waves generated during auto-ignition and reflected within the constant-volume vessel throughout injection. The ability of LES to capture the periodic appearance and destruction of CH2O is particularly important because these structures travel downstream and become rich premixed flames that affect soot production.

This work developed a methodology for transmission line modeling of cable installations to predict the propagation of conducted high altitude electromagnetic pulses in a substation or generating plant. The methodology was applied to a termination cabinet example that was modeled with SPICE transmission line elements with information from electromagnetic field modeling and with validation using experimental data. The experimental results showed reasonable agreement to the modeled propagating pulse and can be applied to other installation structures in the future.

Two relatively under-reported facets of fuel storage fire safety are examined in this work for a 250, 000 gallon two-tank storage system. Ignition probability is linked to the radiative flux from a presumed fire. First, based on observed features of existing designs, fires are expected to be largely contained within a designed footprint that will hold the full spilled contents of the fuel. The influence of the walls and the shape of the tanks on the magnitude of the fire is not a well-described aspect of conventional fire safety assessment utilities. Various resources are herein used to explore the potential hazard for a contained fire of this nature. Second, an explosive attack on the fuel storage has not been widely considered in prior work. This work explores some options for assessing this hazard. The various methods for assessing the constrained conventional fires are found to be within a reasonable degree of agreement. This agreement contrasts with the hazard from an explosive dispersal. Best available assessment techniques are used, which highlight some inadequacies in the existing toolsets for making predictions of this nature. This analysis, using the best available tools, suggests the offset distance for the ignition hazard from a fireball will be on the same order as the offset distance for the blast damage. This suggests the buy-down of risk by considering the fireball is minimal when considering the blast hazards. Assessment tools for the fireball predictions are not particularly mature, and ways to improve them for a higher-fidelity estimate are noted.

Laser absorption spectroscopy (LAS) was used to measure temperature and XH2O at a rate of 500 kHz in post-detonation fireballs of solid explosives. A 25 g hemisphere of pentaerythritol tetranitrate (PETN) was initiated with an exploding-bridgewire detonator to produce a post-detonation fireball that traveled radially toward a hardened optical probe. The probe contained a pressure transducer and the near-infrared optics needed to measure H2O absorption transitions near 7185.6 cm-1 and 6806 cm-1 using peak-picking scanned-wavelength modulation-spectroscopy with first-harmonic-normalized second-harmonic detection (scanned-WMS-2f/1f). The two lasers were scanned across the peak of an absorption line at 500 kHz and modulated at either 35 MHz for the laser near 7185.6 cm-1 or 45.5 MHz for the laser near 6806 cm-1. This enabled measurements of temperature and XH2O at 500 kHz in the shock-heated air and trailing post-detonation fireball. Time histories of pressure, temperature, and XH2O were acquired at multiple standoff distances in order to quantify the temporal evolution of these quantities in the post-detonation environment produced by PETN.

The widespread adoption of residential solar PV requires distribution system studies to ensure the addition of solar PV at a customer location does not violate the system constraints, which can be referred to as locational hosting capacity (HC). These model-based analyses are prone to error due to their dependencies on the accuracy of the system information. Model-free approaches to estimate the solar PV hosting capacity for a customer can be a good alternative to this approach as their accuracies do not depend on detailed system information. In this paper, an Adaptive Boosting (AdaBoost) algorithm is deployed to utilize the statistical properties (mean, minimum, maximum, and standard deviation) of the customer's historical data (real power, reactive power, voltage) as inputs to estimate the voltage-constrained PV HC for the customer. A baseline comparison approach is also built that utilizes just the maximum voltage of the customer to predict PV HC. The results show that the ensemble-based AdaBoost algorithm outperformed the proposed baseline approach. The developed methods are also compared and validated by existing state-of-the-art model-free PV HC estimation methods.

Multiple Input Multiple Output (MIMO) vibration testing provides the capability to expose a system to a field environment in a laboratory setting, saving both time and money by mitigating the need to perform multiple and costly large-scale field tests. However, MIMO vibration test design is not straightforward oftentimes relying on engineering judgment and multiple test iterations to determine the proper selection of response Degree of Freedom (DOF) and input locations that yield a successful test. This work investigates two DOF selection techniques for MIMO vibration testing to assist with test design, an iterative algorithm introduced in previous work and an Optimal Experiment Design (OED) approach. The iterative-based approach downselects the control set by removing DOF that have the smallest impact on overall error given a target Cross Power Spectral Density matrix and laboratory Frequency Response Function (FRF) matrix. The Optimal Experiment Design (OED) approach is formulated with the laboratory FRF matrix as a convex optimization problem and solved with a gradient-based optimization algorithm that seeks a set of weighted measurement DOF that minimize a measure of model prediction uncertainty. The DOF selection approaches are used to design MIMO vibration tests using candidate finite element models and simulated target environments. The results are generalized and compared to exemplify the quality of the MIMO test using the selected DOF.

This paper presents a die-embedded glass interposer with minimum warpage for 5G/6G applications. The interposer performs high integration with low-loss interconnects by embedding multiple chips in the same glass substrate and interconnecting the chips through redistributive layers (RDL). Novel processes for cavity creation, multi-die embedding, carrier- less RDL build up and heat spreader attachment are proposed and demonstrated in this work. Performance of the interposer from 1 GHz to 110 GHz are evaluated. This work provides an advanced packaging solution for low-loss die-to-die and die-to-package interconnects, which is essential to high performance wireless system integration.

In this work, we introduce and compare the results of several methods for determining the horizon profile at a PV site, and compare their use cases and limitations. The methods in this paper include horizon detection from time-series irradiance or performance data, modeling from GIS topology data, manual theodolite measurements, and camera-based horizon detection. We compare various combinations of these methods using data from 4 Regional Test Center sites in the US, and 3 World Bank sites in Nepal. The results show many differences between these methods, and we recommend the most practical solutions for various use-cases.

Electrical safety guidance in NFPA 70E for work on batteries can be substantially improved. Article 120, Establishing an Electrically Safe Work Condition was originally developed to manage electrical sources that can be de-energized, e.g., facility ac/dc power circuits. Some have inappropriately attempted to apply electrical safety practices intended for power distribution circuits to battery work. This includes attempts to de-energize batteries, verify zero energy, or establish an electrically safe work condition, none of which can be applied to batteries. However, the principles of the control of hazardous energy, including lockout tagout, can and need to be adapted to work on batteries. This paper explores the modifications required to develop a battery hazardous energy control procedure that can protect workers and avoid accidents. The paper also covers several physical properties and engineering controls common in battery systems that affect the battery risk assessment required by NFPA 70E. Lastly, the paper presents a list of changes proposed to electrical safety practices, including those outlined in NFPA 70E, that clarify how to control hazardous energy in batteries, helping to avoid future misapplication of power distribution circuit electrical safety practices to batteries.

Distribution systems may experience fast voltage swings in the matter of seconds from distributed energy resources, such as Wind Turbines Generators (WTG) and Photovoltaic (PV) inverters, due to their dependency on variable and intermittent wind speed and solar irradiance. This work proposes a WTG reactive power controller for fast voltage regulation. The controller is tested on a simulation model of a real distribution system. Real wind speed, solar irradiation, and load consumption data is used. The controller is based on a Reinforcement Learning Deep Deterministic Policy Gradient (DDPG) model that determines optimum control actions to avoid significant voltage deviations across the system. The controller has access to voltage measurements at all system buses. Results show that the proposed WTG reactive power controller significantly reduces system-wide voltage deviations across a large number of generation scenarios in order to comply with standardized voltage tolerances.

Here we examine models for particle curtain dispersion using drag based formalisms and their connection to streamwise pressure difference closures. Focusing on drag models, we specifically demonstrate that scaling arguments developed in DeMauro et. al. [1] using early time drag modeling can be extended to include late time particle curtain dispersion behavior by weighting the dynamic portion of the drag relative velocity e.g. (Formula Presented) by the inverse of the particle volume fraction to the ¼th power. The additional parameter e.g. α introduced in this scaling is related to the model drag parameters by employing an early-time latetime matching argument. Comparison with the scaled measurements of DeMauro et. al. suggest that the proposed modification is an effective formalism. Next, the connection between drag-based models and streamwise pressure difference-based expressions is explored by formulating simple analytical models that verify an empirical (Daniel and Wagner [2]) upstream-downstream expression. Though simple, these models provide physics-based approached describing shock particle curtain interaction behavior.

Vulcan is a new pulsed power system at Sandia National Laboratories based on fast Marx technology. Vulcan will serve as an intermediate scale demonstration of a fast Marx system and as a testbed for vacuum insulator testing. Vulcan uses multiple parallel fast Marxes, in a layout we call a Fast Marx Array (FMA), and a pulse forming line (PFL) to generate pulses up to 5 MV with effective pulse lengths for vacuum insulator testing that are relevant to larger facilities like Z. Vulcan consists of two parallel 25 stage Marxes with a total stored energy of up to 20 kJ. Vulcan applies up to 5 MV to a vacuum insulator stack load, thereby enabling testing of large area insulator stacks with areas on the order of 1000 cm2. The PFL design includes an oil output switch to adjust the voltage stress duration applied to the vacuum insulator. We will discuss Vulcan's design, including the FMA, Marx trigger generator, energy diverter, PFL, oil output switch, and results of initial commissioning experiments.

Extreme meteorological events, such as hurricanes and floods, cause significant infrastructure damage and, as a result, prolonged grid outages. To mitigate the negative effect of these outages and enhance the resilience of communities, microgrids consisting of solar photovoltaics (PV), energy storage (ES) technologies, and backup diesel generation are being considered. Furthermore, it is necessary to take into account how the extreme event affects the systems' performance during the outage, often referred to as black-sky conditions. In this paper, an optimization model is introduced to properly size ES and PV technologies to meet various duration of grid outages for selected critical infrastructure while considering black-sky conditions. A case study of the municipality of Villalba, Puerto Rico is presented to identify the several potential microgrid configurations that increase the community's resilience. Sensitivity analyses are performed around the grid outage durations and black-sky conditions to better decide what factors should be considered when scoping potential microgrids for community resilience.

Renewable microgrids are sustainable, resilient solutions to mitigate and adapt to climate change. Making electric loads nearly 100% available (i.e., power remains on) during outages increases cost. Near 100% availability is required when human life or high-cost assets are involved, but availability can be reduced for less consequential loads leading to lower costs. This study analyses costs for photo-voltaic and lithium-ion battery microgrids with availability ranging from 0–99%. We develop a methodology to analyse three Puerto Rican coastal communities. We consider power outage effects for hurricanes, earthquakes, and everyday outages. The results show cost versus availability from 0–99%. There is 27–31% cost reduction at 80% availability in comparison to 99% availability. A regression model of microgrid availability versus three ratios: 1) the annual generation to demand ratio, 2) storage to interruption energy ratio, and 3) peak storage to load ratio produced a coefficient of determination of 0.99949 with 70% of the data used for training and 30% for testing. The results can therefore be extended to other coastal Puerto Rican communities of varying sizes that have ratios within the ranges analysed in this study. This can empower decision makers to rapidly analyse designs that have availabilities well below 100%.

Experiments were conducted on a wave tank model of a bottom raised oscillating surge wave energy converter (OSWEC) model in regular waves. The OSWEC model shape was a thin rectangular flap, which was allowed to pitch in response to incident waves about a hinge located at the intersection of the flap and the top of the supporting foundation. Torsion springs were added to the hinge in order to position the pitch natural frequency at the center of the wave frequency range of the wave maker. The flap motion as well as the loads at the base of the foundation were measured. The OSWEC was modeled analytically using elliptic functions in order to obtain closed form expressions for added mass and radiation damping coefficients, along with the excitation force and torque. These formulations were derived and reported in a previous publication by the authors. While analytical predictions of the foundation loads agree very well with experiments, large discrepancies are seen in the pitch response close to resonance. These differences are analyzed by conducting a sensitivity study, in which system parameters, including damping and added mass values, are varied. The likely contributors to the differences between predictions and experiments are attributed to tank reflections, standing waves that can occur in long, narrow wave tanks, as well as the thin plate assumption employed in the analytical approach.

Multiple rotors on single structures have long been proposed to increase wind turbine energy capture with no increase in rotor size, but at the cost of additional mechanical complexity in the yaw and tower designs. Standard turbines on their own very-closely-spaced towers avoid these disadvantages but create a significant disadvantage; for some wind directions the wake turbulence of a rotor enters the swept area of a very close downwind rotor causing low output, fatigue stress, and changes in wake recovery. Knowing how the performance of pairs of closely spaced rotors varies with wind direction is essential to design a layout that maximizes the useful directions and minimizes the losses and stress at other directions. In the current work, the high-fidelity large-eddy simulation (LES) code Exa-Wind/Nalu-Wind is used to simulate the wake interactions from paired-rotor configurations in a neutrally stratified atmospheric boundary layer to investigate performance and feasibility. Each rotor pair consists of two Vestas V27 turbines with hub-to-hub separation distances of 1.5 rotor diameters. The on-design wind direction results are consistent with previous literature. For an off-design wind direction of 26.6°, results indicate little change in power and far-wake recovery relative to the on-design case. At a direction of 45.0°, significant rotor-wake interactions produce an increase in power but also in far-wake velocity deficit and turbulence intensity. A severely off-design case is also considered.

A high altitude electromagnetic pulse (HEMP) or other similar geomagnetic disturbance (GMD) has the potential to severely impact the operation of large-scale electric power grids. By introducing low-frequency common-mode (CM) currents, these events can impact the performance of key system components such as large power transformers. In this work, a solid-state transformer (SST) that can replace susceptible equipment and improve grid resiliency by safely absorbing these CM insults is described. An overview of the proposed SST power electronics and controls architecture is provided, a system model is developed, and the performance of the SST in response to a simulated CM insult is evaluated. Compared to a conventional magnetic transformer, the SST is found to recover quickly from the insult while maintaining nominal ac input/output behavior.

As the electric grid becomes increasingly cyber-physical, it is important to characterize its inherent cyber-physical interdepedencies and explore how that characterization can be leveraged to improve grid operation. It is crucial to investigate what data features are transferred at the system boundaries, how disturbances cascade between the systems, and how planning and/or mitigation measures can leverage that information to increase grid resilience. In this paper, we explore several numerical analysis and graph decomposition techniques that may be suitable for modeling these cyber-physical system interdependencies and for understanding their significance. An augmented WSCC 9-bus cyber-physical system model is used as a small use-case to assess these techniques and their ability in characterizing different events within the cyber-physical system. These initial results are then analyzed to formulate a high-level approach for characterizing cyber-physical interdependencies.

The DevOps movement, which aims to accelerate the continuous delivery of high-quality software, has taken a leading role in reshaping the software industry. Likewise, there is growing interest in applying DevOps tools and practices in the domains of computational science and engineering (CSE) to meet the ever-growing demand for scalable simulation and analysis. Translating insights from industry to research computing, however, remains an ongoing challenge; DevOps for science and engineering demands adaptation and innovation in those tools and practices. There is a need to better understand the challenges faced by DevOps practitioners in CSE contexts in bridging this divide. To that end, we conducted a participatory action research study to collect and analyze the experiences of DevOps practitioners at a major US national laboratory through the use of storytelling techniques. We share lessons learned and present opportunities for future investigation into DevOps practice in the CSE domain.

Aperture near-field microscopy and spectroscopy (a-SNOM) enables the direct experimental investigation of subwavelength-sized resonators by sampling highly confined local evanescent fields on the sample surface. Despite its success, the versatility and applicability of a-SNOM is limited by the sensitivity of the aperture probe, as well as the power and versatility of THz sources used to excite samples. Recently, perfectly absorbing photoconductive metasurfaces have been integrated into THz photoconductive antenna detectors, enhancing their efficiency and enabling high signal-to-noise ratio THz detection at significantly reduced optical pump powers. Here, we discuss how this technology can be applied to aperture near-field probes to improve both the sensitivity and potentially spatial resolution of a-SNOM systems. In addition, we explore the application of photoconductive metasurfaces also as near-field THz sources, providing the possibility of tailoring the beam profile, polarity and phase of THz excitation. Photoconductive metasurfaces therefore have the potential to broaden the application scope of aperture near-field microscopy to samples and material systems which currently require improved spatial resolution, signal-to-noise ratio, or more complex excitation conditions.

Researchers at Sandia National Laboratories, in conjunction with the Nuclear Energy Institute and Light Water Reactor Sustainability Programs, have conducted testing and analysis to reevaluate and redefine the minimum passible opening size through which a person can effectively pass and navigate. Physical testing with a representative population has been performed on both simple two-dimensional (rectangular and circular cross sections up to 91.4 cm in depth) and more complex three-dimensional (circular cross sections of longer lengths up to 9.1 m and changes in direction) opening configurations. The primary impact of this effort is to define the physical design in which an adversary could successfully pass through a potentially complex opening, as well as to define the designs in which an adversary would not be expected to successfully traverse a complex opening. These data can then be used to support risk-informed decision making.

The challenge of cyberattack detection can be illustrated by the complexity of the MITRE ATT&CKTM matrix, which catalogues >200 attack techniques (most with multiple sub-techniques). To reliably detect cyberattacks, we propose an evidence-based approach which fuses multiple cyber events over varying time periods to help differentiate normal from malicious behavior. We use Bayesian Networks (BNs) - probabilistic graphical models consisting of a set of variables and their conditional dependencies - for fusion/classification due to their interpretable nature, ability to tolerate sparse or imbalanced data, and resistance to overfitting. Our technique utilizes a small collection of expert-informed cyber intrusion indicators to create a hybrid detection system that combines data-driven training with expert knowledge to form a host-based intrusion detection system (HIDS). We demonstrate a software pipeline for efficiently generating and evaluating various BN classifier architectures for specific datasets and discuss explainability benefits thereof.

A microgrid is characterized by a high R/X ratio, making the voltage more sensitive to active power changes unlike in bulk power systems where voltage is mostly regulated by reactive power. Because of its sensitivity to active power, control approach should incorporate active power as well. Thus, the voltage control approach for microgrids is very different from conventional power systems. The energy costs associated with these power are different. Furthermore, because of diverse generation sources and different components such as distributed energy resources, energy storage systems, etc, model-based control approaches might not perform very well. This paper proposes a reinforcement learning-based voltage support framework for a microgrid where an agent learns control policy by interacting with the microgrid without requiring a mathematical model of the system. A MATLAB/Simulink simulation study on a test system from Cordova, Alaska shows that there is a large reduction in voltage deviation (about 2.5-4.5 times). This reduction in voltage deviation can improve the power quality of the microgrid: ensuring a reliable supply, longer equipment lifespan, and stable user operations.

Multiple rotors on single structures have long been proposed to increase wind turbine energy capture with no increase in rotor size, but at the cost of additional mechanical complexity in the yaw and tower designs. Standard turbines on their own very-closely-spaced towers avoid these disadvantages but create a significant disadvantage; for some wind directions the wake turbulence of a rotor enters the swept area of a very close downwind rotor causing low output, fatigue stress, and changes in wake recovery. Knowing how the performance of pairs of closely spaced rotors varies with wind direction is essential to design a layout that maximizes the useful directions and minimizes the losses and stress at other directions. In the current work, the high-fidelity large-eddy simulation (LES) code Exa-Wind/Nalu-Wind is used to simulate the wake interactions from paired-rotor configurations in a neutrally stratified atmospheric boundary layer to investigate performance and feasibility. Each rotor pair consists of two Vestas V27 turbines with hub-to-hub separation distances of 1.5 rotor diameters. The on-design wind direction results are consistent with previous literature. For an off-design wind direction of 26.6°, results indicate little change in power and far-wake recovery relative to the on-design case. At a direction of 45.0°, significant rotor-wake interactions produce an increase in power but also in far-wake velocity deficit and turbulence intensity. A severely off-design case is also considered.

The design of thermal protection systems (TPS), including heat shields for reentry vehicles, rely more and more on computational simulation tools for design optimization and uncertainty quantification. Since high-fidelity simulations are computationally expensive for full vehicle geometries, analysts primarily use reduced-physics models instead. Recent work has shown that projection-based reduced-order models (ROMs) can provide accurate approximations of high-fidelity models at a lower computational cost. ROMs are preferable to alternative approximation approaches for high-consequence applications due to the presence of rigorous error bounds. The following paper extends our previous work on projection-based ROMs for ablative TPS by considering hyperreduction methods which yield further reductions in computational cost and demonstrating the approach for simulations of a three-dimensional flight vehicle. We compare the accuracy and potential performance of several different hyperreduction methods and mesh sampling strategies. This paper shows that with the correct implementation, hyperreduction can make ROMs up to 1-3 orders of magnitude faster than the full order model by evaluating the residual at only a small fraction of the mesh nodes.

Measurements of gas-phase temperature and pressure in hypersonic flows are important for understanding gas-phase fluctuations which can drive dynamic loading on model surfaces and to study fundamental compressible flow turbulence. To achieve this capability, femtosecond coherent anti-Stokes Raman scattering (fs CARS) is applied in Sandia National Laboratories’ cold-flow hypersonic wind tunnel facility. Measurements were performed for tunnel freestream temperatures of 42–58 K and pressures of 1.5–2.2 Torr. The CARS measurement volume was translated in the flow direction during a 30-second tunnel run using a single computer-controlled translation stage. After broadband femtosecond laser excitation, the rotational Raman coherence was probed twice, once at an early time where the collisional environment has not affected the Raman coherence, and another at a later time after the collisional environment has led to significant dephasing of the Raman coherent. The gas-phase temperature was obtained primarily from the early-probe CARS spectra, while the gas-phase pressure was obtained primarily from the late-probe CARS spectra. Challenges in implementing fs CARS in this facility such as changes in the nonresonant spectrum at different measurement location are discussed.

Inverse problems constrained by partial differential equations (PDEs) play a critical role in model development and calibration. In many applications, there are multiple uncertain parameters in a model that must be estimated. However, high dimensionality of the parameters and computational complexity of the PDE solves make such problems challenging. A common approach is to reduce the dimension by fixing some parameters (which we will call auxiliary parameters) to a best estimate and use techniques from PDE-constrained optimization to estimate the other parameters. In this article, hyper-differential sensitivity analysis (HDSA) is used to assess the sensitivity of the solution of the PDE-constrained optimization problem to changes in the auxiliary parameters. Foundational assumptions for HDSA require satisfaction of the optimality conditions which are not always practically feasible as a result of ill-posedness in the inverse problem. We introduce novel theoretical and computational approaches to justify and enable HDSA for ill-posed inverse problems by projecting the sensitivities on likelihood informed subspaces and defining a posteriori updates. Our proposed framework is demonstrated on a nonlinear multiphysics inverse problem motivated by estimation of spatially heterogeneous material properties in the presence of spatially distributed parametric modeling uncertainties.

A method is presented to detect clear-sky periods for plane-of-array, time-averaged irradiance data that is based on the algorithm originally described by Reno and Hansen. We show this new method improves the state-of-the-art by providing accurate detection at longer data intervals, and by detecting clear periods in plane-of-array data, which is novel. We illustrate how accurate determination of clear-sky conditions helps to eliminate data noise and bias in the assessment of long-term performance of PV plants.

The structure-property linkage is one of the two most important relationships in materials science besides the process-structure linkage, especially for metals and polycrystalline alloys. The stochastic nature of microstructures begs for a robust approach to reliably address the linkage. As such, uncertainty quantification (UQ) plays an important role in this regard and cannot be ignored. To probe the structure-property linkage, many multi-scale integrated computational materials engineering (ICME) tools have been proposed and developed over the last decade to accelerate the material design process in the spirit of Material Genome Initiative (MGI), notably crystal plasticity finite element model (CPFEM) and phase-field simulations. Machine learning (ML) methods, including deep learning and physics-informed/-constrained approaches, can also be conveniently applied to approximate the computationally expensive ICME models, allowing one to efficiently navigate in both structure and property spaces effortlessly. Since UQ also plays a crucial role in verification and validation for both ICME and ML models, it is important to include UQ in the picture. In this paper, we summarize a few of our recent research efforts addressing UQ aspects of homogenized properties using CPFEM in a big picture context.

We analyze the regression accuracy of convolutional neural networks assembled from encoders, decoders and skip connections and trained with multifidelity data. Besides requiring significantly less trainable parameters than equivalent fully connected networks, encoder, decoder, encoder-decoder or decoder-encoder architectures can learn the mapping between inputs to outputs of arbitrary dimensionality. We demonstrate their accuracy when trained on a few high-fidelity and many low-fidelity data generated from models ranging from one-dimensional functions to Poisson equation solvers in two-dimensions. We finally discuss a number of implementation choices that improve the reliability of the uncertainty estimates generated by Monte Carlo DropBlocks, and compare uncertainty estimates among low-, high- and multifidelity approaches.

Thermal spray processes benefit from workpiece cooling to prevent overheating of the substrate and to retain metallurgical properties (e.g., temper). Cold-gas “plume quenching” is a plume-targeting cooling technique, where an argon curtain is directed laterally above the substrate surface to re-direct high temperature gases without impacting particle motion. However, there has been little investigation of its effect on the molten particles and the resulting coating properties. This study examined high- and medium- density tantalum and nickel coatings, fabricated by Controlled Atmosphere Plasma Spray with and without plume quenching on aluminum and titanium substrates. To compare the effect of plume quenching, the deposition efficiency was calculated through coating mass gain, and the coating density, stiffness, and adhesion were measured. The tantalum and nickel coatings were largely unaffected by plume quenching with respect to deposition efficiencies, coating density, adhesion, and stiffness. These results indicate that a plume quench could be used without affecting the coating properties for high- and medium-density metals while providing the benefit of substrate cooling that increases with higher plume quench gas flow rates.

Austenitic stainless steels are used in high-pressure hydrogen containment infrastructure for their resistance to hydrogen embrittlement. Applications for the use of austenitic stainless steels include pressure vessels, tubing, piping, valves, fittings and other piping components. Despite their resistance to brittle behavior in the presence of hydrogen, austenitic stainless steels can exhibit degraded fracture performance. The mechanisms of hydrogen-assisted fracture, however, remain elusive, which has motivated continued research on these alloys. There are two principal approaches to evaluate the influence of gaseous hydrogen on mechanical properties: internal and external hydrogen, respectively. The austenite phase has high solubility and low diffusivity of hydrogen at room temperature, which enables introduction of hydrogen into the material through thermal precharging at elevated temperature and pressure; a condition referred to as internal hydrogen. H-precharged material can subsequently be tested in ambient conditions. Alternatively, mechanical testing can be performed while test coupons are immersed in gaseous hydrogen thereby evaluating the effects of external hydrogen on property degradation. The slow diffusivity of hydrogen in austenite at room temperature can often be a limiting factor in external hydrogen tests and may not properly characterize lower bound fracture behavior in components exposed to hydrogen for long time periods. In this study, the differences between internal and external hydrogen environments are evaluated in the context of fracture resistance measurements. Fracture testing was performed on two different forged austenitic stainless steel alloys (304L and XM-11) in three different environments: 1) non-charged and tested in gaseous hydrogen at pressure of 1,000 bar (external H2), 2) hydrogen precharged and tested in air (internal H), 3) hydrogen precharged and tested in 1,000 bar H2 (internal H + external H2). For all environments, elastic-plastic fracture measurements were conducted to establish J-R curves following the methods of ASTM E1820. Following fracture testing, fracture surfaces were examined to reveal predominant fracture mechanisms for the different conditions and to characterize differences (and similarities) in the macroscale fracture processes associated with these environmental conditions.

The Sliding Scale of Cybersecurity is a framework for understanding the actions that contribute to cybersecurity. The model consists of five categories that provide varying value towards cybersecurity and incur varying implementation costs. These categories range from offensive cybersecurity measures providing the least value and incurring the greatest cost, to architecture providing the greatest value and incurring the least cost. This paper presents an application of the Sliding Scale of Cybersecurity to the Tiered Cybersecurity Analysis (TCA) of digital instrumentation and control systems for advanced reactors. The TCA consists of three tiers. Tier 1 is design and impact analysis. In Tier 1 it is assumed that the adversary has control over all digital systems, components, and networks in the plant, and that the adversary is only constrained by the physical limitations of the plant design. The plant’s safety design features are examined to determine whether the consequences of an attack by this cyber-enabled adversary are eliminated or mitigated. Accident sequences that are not eliminated or mitigated by security by design features are examined in Tier 2 analysis. In Tier 2, adversary access pathways are identified for the unmitigated accident sequences, and passive measures are implemented to deny system and network access to those pathways wherever feasible. Any systems with remaining susceptible access pathways are then examined in Tier 3. In Tier 3, active defensive cybersecurity architecture features and cybersecurity plan controls are applied to deny the adversary the ability to conduct the tasks needed to cause a severe consequence. Earlier application of the TCA in the design process provides greater opportunity for an efficient graded approach and defense-in-depth.

Reinforcement learning (RL) may enable fixedwing unmanned aerial vehicle (UAV) guidance to achieve more agile and complex objectives than typical methods. However, RL has yet struggled to achieve even minimal success on this problem; fixed-wing flight with RL-based guidance has only been demonstrated in literature with reduced state and/or action spaces. In order to achieve full 6-DOF RL-based guidance, this study begins training with imitation learning from classical guidance, a method known as warm-staring (WS), before further training using Proximal Policy Optimization (PPO). We show that warm starting is critical to successful RL performance on this problem. PPO alone achieved a 2% success rate in our experiments. Warm-starting alone achieved 32% success. Warm-starting plus PPO achieved 57% success over all policies, with 40% of policies achieving 94% success.

The current interest in hypersonic flows and the growing importance of plasma applications necessitate the development of diagnostics for high-enthalpy flow environments. Reliable and novel experimental data at relevant conditions will drive engineering and modeling efforts forward significantly. This study demonstrates the usage of nanosecond Coherent Anti-Stokes Raman Scattering (CARS) to measure temperature in an atmospheric, high-temperature (> 5500 K) air plasma. The experimental configuration is of interest as the plasma is close to thermodynamic equilibrium and the setup is a test-bed for heat shield materials. The determination of the non-resonant background at such high-temperatures is explored and rotational-vibrational equilibrium temperatures of the N2 ground state are determined via fits of the theory to measured spectra. Results show that the accuracy of the temperature measurements is affected by slow periodic variations in the plasma, causing sampling error. Moreover, depending on the experimental configuration, the measurements can be affected by two-beam interaction, which causes a bias towards lower temperatures, and stimulated Raman pumping, which causes a bias towards higher temperatures. The successful demonstration of CARS at the present conditions, and the exploration of its sensitivities, paves the way towards more complex measurements, e.g. close to interfaces in high-enthalpy plasma flows.

Phosphor thermometry has become an established remote sensing technique for acquiring the temperature of surfaces and gas-phase flows. Often, phosphors are excited by a light source (typically emitting in the UV region), and their temperature-sensitive emission is captured. Temperature can be inferred from shifts in the emission spectra or the radiative decay lifetime during relaxation. While recent work has shown that the emission of several phosphors remains thermographic during x-ray excitation, the radiative decay lifetime was not investigated. The focus of the present study is to characterize the lifetime decay of the phosphor Gd2O2S:Tb for temperature sensitivity after excitation from a pulsed x-ray source. These results are compared to the lifetime decays found for this phosphor when excited using a pulsed UV laser. Results show that the lifetime of this phosphor exhibits comparable sensitivity to temperature between both excitation sources for a temperature range between 21 °C to 140 °C in increments of 20 °C. This work introduces a novel method of thermometry for researchers to implement when employing x-rays for diagnostics.

The V31 containment vessel was procured by the US Army Recovered Chemical Material Directorate (RCMD) as a third-generation EDS containment vessel. It is the fifth 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 the vessel, based on the code case, is 24 lb (11 kg) 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 24 lb (11 kg) of Composition C-4 (30 lb [14 kg] 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 (8.72 kg) of Composition C-4 (24 lb [11 kg] TNT equivalent). Qualification test (3) consisted of a 12-pack of regular, right circular cylinders of 2 lb (908 g) each, distributed evenly inside the vessel (totaling 19.2 lb [8.72 kg] of C-4, or 24 lb [11 kg] TNT equivalent). All vessel acceptance criteria were met.

The error detection performance of cyclic redundancy check (CRC) codes combined with bit framing in digital serial communication systems is evaluated. Advantages and disadvantages of the combined method are treated in light of the probability of undetected errors. It is shown that bit framing can increase the burst error detection of the CRC but it can also adversely affect CRC random error detection performance. To quantify the effect of bit framing on CRC error detection the concept of error "exposure"is introduced. Our investigations lead us to propose resilient generator polynomials that, when combined with bit framing, can result in improved CRC error detection performance at no additional implementation cost. Example results are generated for short codewords showing that proper choice of CRC generator polynomial can improve error detection performance when combined with bit framing. The implication is that CRC combined with bit framing can reduce the probability of undetected errors even under high error rate conditions.

We propose a set of benchmark tests for current-voltage (IV) curve fitting algorithms. Benchmark tests enable transparent and repeatable comparisons among algorithms, allowing for measuring algorithm improvement over time. An absence of such tests contributes to the proliferation of fitting methods and inhibits achieving consensus on best practices. Benchmarks include simulated curves with known parameter solutions, with and without simulated measurement error. We implement the reference tests on an automated scoring platform and invite algorithm submissions in an open competition for accurate and performant algorithms.

Unlike traditional base excitation vibration qualification testing, multi-axis vibration testing methods can be significantly faster and more accurate. Here, a 12-shaker multiple-input/multiple-output (MIMO) test method called intrinsic connection excitation (ICE) is developed and assessed for use on an example aerospace component. In this study, the ICE technique utilizes 12 shakers, 1 for each boundary condition attachment degree of freedom to the component, specially designed fixtures, and MIMO control to provide an accurate set of loads and boundary conditions during the test. Acceleration, force, and voltage control provide insight into the viability of this testing method. System field test and ICE test results are compared to traditional single degree of freedom specification development and testing. Results indicate the multi-shaker ICE test provided a much more accurate replication of system field test response compared with single degree of freedom testing.

Abstract not provided.

The Sliding Scale of Cybersecurity is a framework for understanding the actions that contribute to cybersecurity. The model consists of five categories that provide varying value towards cybersecurity and incur varying implementation costs. These categories range from offensive cybersecurity measures providing the least value and incurring the greatest cost, to architecture providing the greatest value and incurring the least cost. This paper presents an application of the Sliding Scale of Cybersecurity to the Tiered Cybersecurity Analysis (TCA) of digital instrumentation and control systems for advanced reactors. The TCA consists of three tiers. Tier 1 is design and impact analysis. In Tier 1 it is assumed that the adversary has control over all digital systems, components, and networks in the plant, and that the adversary is only constrained by the physical limitations of the plant design. The plant’s safety design features are examined to determine whether the consequences of an attack by this cyber-enabled adversary are eliminated or mitigated. Accident sequences that are not eliminated or mitigated by security by design features are examined in Tier 2 analysis. In Tier 2, adversary access pathways are identified for the unmitigated accident sequences, and passive measures are implemented to deny system and network access to those pathways wherever feasible. Any systems with remaining susceptible access pathways are then examined in Tier 3. In Tier 3, active defensive cybersecurity architecture features and cybersecurity plan controls are applied to deny the adversary the ability to conduct the tasks needed to cause a severe consequence. Earlier application of the TCA in the design process provides greater opportunity for an efficient graded approach and defense-in-depth.

Previous research has provided strong evidence that CO2 and H2O gasification reactions can provide non-negligible contributions to the consumption rates of pulverized coal (pc) char during combustion, particularly in oxy-fuel environments. Fully quantifying the contribution of these gasification reactions has proven to be difficult, due to the dearth of knowledge of gasification rates at the elevated particle temperatures associated with typical pc char combustion processes, as well as the complex interaction of oxidation and gasification reactions. Gasification reactions tend to become more important at higher char particle temperatures (because of their high activation energy) and they tend to reduce pc oxidation due to their endothermicity (i.e. cooling effect). The work reported here attempts to quantify the influence of the gasification reaction of CO2 in a rigorous manner by combining experimental measurements of the particle temperatures and consumption rates of size-classified pc char particles in tailored oxy-fuel environments with simulations from a detailed reacting porous particle model. The results demonstrate that a specific gasification reaction rate relative to the oxidation rate (within an accuracy of approximately +/- 20% of the pre-exponential value), is consistent with the experimentally measured char particle temperatures and burnout rates in oxy-fuel combustion environments. Conversely, the results also show, in agreement with past calculations, that it is extremely difficult to construct a set of kinetics that does not substantially overpredict particle temperature increase in strongly oxygen-enriched N2 environments. This latter result is believed to result from deficiencies in standard oxidation mechanisms that fail to account for falloff in char oxidation rates at high temperatures.

This paper introduces a new microprocessor-based system that is capable of detecting faults via the Traveling Wave (TW) generated from a fault event. The fault detection system is comprised of a commercially available Digital Signal Processing (DSP) board capable of accurately sampling signals at high speeds, performing the Discrete Wavelet Transform (DWT) decomposition to extract features from the TW, and a detection algorithm that makes use of the extracted features to determine the occurrence of a fault. Results show that this inexpensive fault detection system's performance is comparable to commercially available TW relays as accurate sampling and fault detection are achieved in a hundred and fifty microseconds. A detailed analysis of the execution times of each part of the process is provided.

Laser-induced photoemission of electrons offers opportunities to trigger and control plasmas and discharges [1]. However, the underlying mechanisms are not sufficiently characterized to be fully utilized [2]. We present an investigation to characterize the effects of photoemission on plasma breakdown for different reduced electric fields, laser intensities, and photon energies. We perform Townsend breakdown experiments assisted by high-speed imaging and employ a quantum model of photoemission along with a 0D discharge model [3], [4] to interpret the experimental measurements.

Creation of a Sandia internally developed, shock-hardened Recoverable Data Recorder (RDR) necessitated experimentation by ballistically-firing the device into water targets at velocities up to 5,000 ft/s. The resultant mechanical environments were very severe—routinely achieving peak accelerations in excess of 200 kG and changes in pseudo-velocity greater than 38,000 inch/s. High-quality projectile deceleration datasets were obtained though high-speed imaging during the impact events. The datasets were then used to calibrate and validate computational models in both CTH and EPIC. Hydrodynamic stability in these environments was confirmed to differ from aerodynamic stability; projectile stability is maintained through a phenomenon known as “tail-slapping” or impingement of the rear of the projectile on the cavitation vapor-water interface which envelopes the projectile. As the projectile slows the predominate forces undergo a transition which is outside the codes’ capabilities to calculate accurately, however, CTH and EPIC both predict the projectile trajectory well in the initial hypervelocity regime. Stable projectile designs and the achievable acceleration space are explored through a large parameter sweep of CTH simulations. Front face chamfer angle has the largest influence on stability with low angles being more stable.

We demonstrate an InAs-based nonlinear dielectric metasurface, which can generate terahertz (THz) pulses with opposite phase in comparison to an unpatterned InAs layer. It enables binary phase THz metasurfaces for generation and focusing of THz pulses.

Characterization of geologic heterogeneity at an enhanced geothermal system (EGS) is crucial for cost-effective stimulation planning and reliable heat production. With recent advances in computational power and sensor technology, large-scale fine-resolution simulations of coupled thermal-hydraulic-mechanical (THM) processes have been available. However, traditional large-scale inversion approaches have limited utility for sites with complex subsurface structures unless one can afford high, often computationally prohibitive, computations. Key computational burdens are predominantly associated with a number of large-scale coupled numerical simulations and large dense matrix multiplications derived from fine discretization of the field site domain and a large number of THM and chemical (THMC) measurements. In this work, we present deep-generative model-based Bayesian inversion methods for the computationally efficient and accurate characterization of EGS sites. Deep generative models are used to learn the approximate subsurface property (e.g., permeability, thermal conductivity, and elastic rock properties) distribution from multipoint geostatistics-derived training images or discrete fracture network models as a prior and accelerated stochastic inversion is performed on the low-dimensional latent space in a Bayesian framework. Numerical examples with synthetic permeability fields with fracture inclusions with THM data sets based on Utah FORGE geothermal site will be presented to test the accuracy, speed, and uncertainty quantification capability of our proposed joint data inversion method.

Modern Industrial Control Systems (ICS) attacks evade existing tools by using knowledge of ICS processes to blend their activities with benign Supervisory Control and Data Acquisition (SCADA) operation, causing physical world damages. We present Scaphy to detect ICS attacks in SCADA by leveraging the unique execution phases of SCADA to identify the limited set of legitimate behaviors to control the physical world in different phases, which differentiates from attacker's activities. For example, it is typical for SCADA to setup ICS device objects during initialization, but anomalous during process-control. To extract unique behaviors of SCADA execution phases, Scaphy first leverages open ICS conventions to generate a novel physical process dependency and impact graph (PDIG) to identify disruptive physical states. Scaphy then uses PDIG to inform a physical process-aware dynamic analysis, whereby code paths of SCADA process-control execution is induced to reveal API call behaviors unique to legitimate process-control phases. Using this established behavior, Scaphy selectively monitors attacker's physical world-targeted activities that violates legitimate process-control behaviors. We evaluated Scaphy at a U.S. national lab ICS testbed environment. Using diverse ICS deployment scenarios and attacks across 4 ICS industries, Scaphy achieved 95% accuracy & 3.5% false positives (FP), compared to 47.5% accuracy and 25% FP of existing work. We analyze Scaphy's resilience to futuristic attacks where attacker knows our approach.