Publications

This presentation describes a new effort to better understand insulator flashover in high current, high voltage pulsed power systems. Both experimental and modeling investigations are described. Particular emphasis is put upon understand flashover that initiate in the anode triple junction (anode-vacuum-dielectric).

This work describes controlling light propagation, emission and topological behavior of light using seminconductor based nanophotonic structures.

Sandia National Laboratories has conducted geomechanical analysis to evaluate the performance of the Strategic Petroleum Reserve by modeling the viscoplastic, or creep, behavior of the salt in which their oil-storage caverns reside. The operation-driven imbalance between fluid pressure within the salt cavern and in-situ stress acting on the surrounding salt can cause the salt to creep, potentially leading to a loss of the cavern volume and consequently deformation of borehole casings. Therefore, a greater understanding of salt creep's behavior on borehole casing needs to be addressed to drive cavern operations decisions. To evaluate potential casing damage mechanisms with variation in geological constraints (e.g. material characteristics of salt or caprock) or physical mechanisms of cavern leakage, we developed a generic model with a layered and domal geometry including nine caverns, rather than use a specific field-site model, to save computational costs. The geomechanical outputs, such as cavern volume changes, vertical strain along the dome and caprock above the cavern and vertical displacement at the surface or cavern top, quantifies the impact of material parameters and cavern locations as well as multiple operations in multiple caverns on an individual cavern stability.

There is a global interest in decarbonizing the existing natural gas infrastructure by blending the natural gas with hydrogen. However, hydrogen is known to embrittle pipeline and pressure vessel steels used in gas transportation and storage applications. Thus, assessing the structural integrity of vintage pipeline (pre-1970s) in the presence of gaseous hydrogen is a critical step towards successful implementation of hydrogen blending into existing infrastructure. To this end, fatigue crack growth (FCG) behavior and fracture resistance of several vintage X52 pipeline steels were evaluated in high purity gaseous hydrogen environments at pressure of 210 bar (3,000 psi) and 34 bar (500 psi). The base metal and seam weld microstructures were characterized using optical microscopy, scanning electron microscopy (SEM) and Vickers hardness mapping. The base metals consisted of ferrite-pearlite banded microstructures, whereas the weld regions contained ferrite and martensite. In one case, a hook-like crack was observed in an electric resistance (seam) weld; whereas hard spots were observed near the bond line of a double-submerged arc (seam) weld. For a given hydrogen gas pressure, comparable FCG rates were observed for the different base metal and weld microstructures. Generally, the higher strength microstructures had lower fracture resistance in hydrogen. In particular, lower fracture resistance was measured when local hard spots were observed in the approximate region of the crack plane of the weld. Samples tested in lower H2 pressure (34 bar) exhibited lower FCG rates (in the lower ∆K regime) and greater fracture resistance when compared to the respective high-pressure (210 bar) hydrogen tests. The hydrogen-assisted fatigue and fracture surfaces were qualitatively characterized using SEM to rationalize the influence of microstructure on the dominant fracture mechanisms in gaseous hydrogen environment.

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.

Pulsed dielectric barrier discharges (DBD) in He-H2O and He-H2O-O2 mixtures are studied in near atmospheric conditions using temporally and spatially resolved quantitative 2D imaging of the hydroxyl radical (OH) and hydrogen peroxide (H2O2). The primary goal was to detect and quantify the production of these strongly oxidative species in water-laden helium discharges in a DBD jet configuration, which is of interest for biomedical applications such as disinfection of surfaces and treatment of biological samples. Hydroxyl profiles are obtained by laser-induced fluorescence (LIF) measurements using 282 nm laser excitation. Hydrogen peroxide profiles are measured by photo-fragmentation LIF (PF-LIF), which involves photo-dissociating H2O2 into OH with a 212.8 nm laser sheet and detecting the OH fragments by LIF. The H2O2 profiles are calibrated by measuring PF-LIF profiles in a reference mixture of He seeded with a known amount of H2O2. OH profiles are calibrated by measuring OH-radical decay times and comparing these with predictions from a chemical kinetics model. Two different burst discharge modes with five and ten pulses per burst are studied, both with a burst repetition rate of 50 Hz. In both cases, dynamics of OH and H2O2 distributions in the afterglow of the discharge are investigated. Gas temperatures determined from the OH-LIF spectra indicate that gas heating due to the plasma is insignificant. The addition of 5% O2 in the He admixture decreases the OH densities and increases the H2O2 densities. The increased coupled energy in the ten-pulse discharge increases OH and H2O2 mole fractions, except for the H2O2 in the He-H2O-O2 mixture which is relatively insensitive to the additional pulses.

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.

Many High Performance Computing (HPC) facilities have developed and deployed frameworks in support of continuous monitoring and operational data analytics (MODA) to help improve efficiency and throughput. Because of the complexity and scale of systems and workflows and the need for low-latency response to address dynamic circumstances, automated feedback and response have the potential to be more effective than current human-in-the-loop approaches which are laborious and error prone. Progress has been limited, however, by factors such as the lack of infrastructure and feedback hooks, and successful deployment is often site- and case-specific. In this position paper we report on the outcomes and plans from a recent Dagstuhl Seminar, seeking to carve a path for community progress in the development of autonomous feedback loops for MODA, based on the established formalism of similar (MAPE-K) loops in autonomous computing and self-adaptive systems. By defining and developing such loops for significant cases experienced across HPC sites, we seek to extract commonalities and develop conventions that will facilitate interoperability and interchangeability with system hardware, software, and applications across different sites, and will motivate vendors and others to provide telemetry interfaces and feedback hooks to enable community development and pervasive deployment of MODA autonomy loops.

This study presents a method for constructing machine learning-based reduced order models (ROMs) that accurately simulate nonlinear contact problems while quantifying epistemic uncertainty. These purely non-intrusive ROMs significantly lower computational costs compared to traditional full order models (FOMs). The technique utilizes adversarial training combined with an ensemble of Barlow twins reduced order models (BT-ROMs) to maximize the information content of the nonlinear reduced manifolds. These lower-dimensional manifolds are equipped with Gaussian error estimates, allowing for quantifying epistemic uncertainty in the ROM predictions. The effectiveness of these ROMs, referred to as UQ-BT-ROMs, is demonstrated in the context of contact between a rigid indenter and a hyperelastic substrate under finite deformations. The ensemble of BT-ROMs improves accuracy and computational efficiency compared to existing alternatives. The relative error between the UQ-BT-ROM and FOM solutions ranges from approximately 3% to 8% across all benchmarks. Remarkably, this high level of accuracy is achieved at a significantly reduced computational cost compared to FOMs. For instance, the online phase of the UQ-BT-ROM takes only 0.001 seconds, while a single FOM evaluation requires 63 seconds. Furthermore, the error estimate produced by the UQ-BT-ROMs reasonably captures the errors in the ROMs, with increasing accuracy as training data increases. The ensemble approach improves accuracy and computational efficiency compared to existing alternatives. The UQ-BT-ROMs provide a cost-effective solution with significantly reduced computational times while maintaining a high level of accuracy.

Subhourly changes in solar irradiance can lead to energy models being biased high if realistic distributions of irradiance values are not reflected in the resource data and model. This is particularly true in solar facility designs with high inverter loading ratios (ILRs). When resource data with sufficient temporal and spatial resolution is not available for a site, synthetic variability can be added to the data that is available in an attempt to address this issue. In this work, we demonstrate the use of anonymized commercial resource datasets with synthetic variability and compare results with previous estimates of model bias due to inverter clipping and increasing ILR.

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.

Accurate characterization of electrical device behavior is a key component of developing accurate electrical models and assessing reliability. Measurements characterizing an electrical device can be produced from current-voltage (I-V) sweeps. We introduce the pairwise midpoint method (PMM) for estimating the mean of a functional data set and apply it to I-V sweeps from a Zener diode. Comparisons indicate that the PMM is a viable method for describing the mean behavior of a functional data set.

Diffusion bonding of two immiscible, binary metallic systems, Cu-Ta and Cu-W was employed to make repeatable and predictable dual-layer impactors for shock-reshock experiments. The diffusion bonded impactors were characterized using ultrasonic imaging and optical microscopy to ensure bonding and the absence of excessive Cu grain coarsening. The diffusion bonded impactors were launched via a two-stage gas gun at [100] LiF windows instrumented with multiple interferometry probes spanning nearly the entire impactor area. Consistent interferometry data was obtained from all experiments with no evidence of release prior to recompression, indicating a uniform bond. Comparisons to hydrocode simulations show excellent agreement for all experiments, facilitating easy application of these impactors to future experiments.

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.

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 is an investigation on two experimental datasets of laminar hypersonic flows, over a double-cone geometry, acquired in Calspan—University at Buffalo Research Center’s Large Energy National Shock (LENS)-XX expansion tunnel. These datasets have yet to be modeled accurately. A previous paper suggested that this could partly be due to mis-specified inlet conditions. The authors of this paper solved a Bayesian inverse problem to infer the inlet conditions of the LENS-XX test section and found that in one case they lay outside the uncertainty bounds specified in the experimental dataset. However, the inference was performed using approximate surrogate models. In this paper, the experimental datasets are revisited and inversions for the tunnel test-section inlet conditions are performed with a Navier–Stokes simulator. The inversion is deterministic and can provide uncertainty bounds on the inlet conditions under a Gaussian assumption. It was found that deterministic inversion yields inlet conditions that do not agree with what was stated in the experiments. An a posteriori method is also presented to check the validity of the Gaussian assumption for the posterior distribution. This paper contributes to ongoing work on the assessment of datasets from challenging experiments conducted in extreme environments, where the experimental apparatus is pushed to the margins of its design and performance envelopes.

This paper presents the ongoing development of a wireline tool designed to detect and quantify inflows from feed zones in geothermal wells based on measurement of chloride. The tool aims to characterize stimulation events in Enhanced Geothermal Systems (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 development of the chloride tool involves an Ion Specific Electrodes (ISE) probe and a reference electrode, assembled through a labor-intensive process, and designed to withstand downhole conditions for field deployment. Through laboratory experiments and numerical simulations, the tool demonstrated efficacy in identifying changes in chloride concentration, indicating its utility in feed zone detection. However, the impact of impedance on voltage measurements and discrepancies between laboratory and simulation results presented opportunities for further refinement. Notably, simulation results consistently underestimated actual chloride concentration by 30-40%, suggesting the need for compensatory calibration. Comparisons between different simulation software indicated that ANSYS was more accurate in replicating key features observed in laboratory experiments. Moreover, a Machine Learning (ML) approach was used to improve feed zone location detection and inflow rate measurement, utilizing Random Forest and Light Gradient Boosting Machine (LGBM) models, which delivered high performance scores. Thus, the chloride tool's recent development and integration with machine learning approaches offer promising advancements in feed zone identification and quantification.

Interlocking metasurfaces (ILMs) are architected arrays of mating features that enable joining of two bodies. Complementary to traditional joining technologies such as bolts, adhesives, and welds, ILMs combine ease of assembly, removal, and reassembly with robust mechanical properties. Structural in nature, they act in a quasi-continuous manner across a surface and enable joining of complex surfaces, e.g., lattices. In this perspective, we define an ILM, begin exploring the design domain and illustrate its breath, and pragmatically evaluate mechanical performance and manufacturability. ILMs will find applications in various fields from aerospace to micro-robotics, civil engineering, and prosthetics.

Abstract not provided.

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.

With increasing penetration of variable renewable generation, battery energy storage systems (BESS) are becoming important for power system stability due to their operational flexibility. In this paper, we propose a method for determining the minimum BESS rated power that guarantees security constraints in a grid subject to disturbances induced by variable renewable generation. The proposed framework leverages sensitivity-based inverse uncertainty propagation where the dynamical responses of the states are parameterized with respect to random variables. Using this approach, the original nonlinear optimization problem for finding the security-constrained uncertainty interval may be formulated as a quadratically-constrained linear program. The resulting estimated uncertainty interval is utilized to find the BESS rated power required to satisfy grid stability constraints.

At the turn of the millennium the computational neuroscience community realized that neuroscience was in a software crisis: software development was no longer progressing as expected and reproducibility declined. The International Neuroinformatics Coordinating Facility (INCF) was inaugurated in 2007 as an initiative to improve this situation. The INCF has since pursued its mission to help the development of standards and best practices. In a community paper published this very same year, Brette et al. tried to assess the state of the field and to establish a scientific approach to simulation technology, addressing foundational topics, such as which simulation schemes are best suited for the types of models we see in neuroscience. In 2015, a Frontiers Research Topic “Python in neuroscience” by Muller et al. triggered and documented a revolution in the neuroscience community, namely in the usage of the scripting language Python as a common language for interfacing with simulation codes and connecting between applications. The review by Einevoll et al. documented that simulation tools have since further matured and become reliable research instruments used by many scientific groups for their respective questions. Open source and community standard simulators today allow research groups to focus on their scientific questions and leave the details of the computational work to the community of simulator developers. A parallel development has occurred, which has been barely visible in neuroscientific circles beyond the community of simulator developers: Supercomputers used for large and complex scientific calculations have increased their performance from ~10 TeraFLOPS (10¹³ floating point operations per second) in the early 2000s to above 1 ExaFLOPS (10¹⁸ floating point operations per second) in the year 2022. This represents a 100,000-fold increase in our computational capabilities, or almost 17 doublings of computational capability in 22 years. Moore's law (the observation that it is economically viable to double the number of transistors in an integrated circuit every other 18–24 months) explains a part of this; our ability and willingness to build and operate physically larger computers, explains another part. It should be clear, however, that such a technological advancement requires software adaptations and under the hood, simulators had to reinvent themselves and change substantially to embrace this technological opportunity. It actually is quite remarkable that—apart from the change in semantics for the parallelization—this has mostly happened without the users knowing. The current Research Topic was motivated by the wish to assemble an update on the state of neuroscientific software (mostly simulators) in 2022, to assess whether we can see more clearly which scientific questions can (or cannot) be asked due to our increased capability of simulation, and also to anticipate whether and for how long we can expect this increase of computational capabilities to continue.

Here we consider the shock stand-off distance for blunt forebodies using a simplified differential-based approach with extensions for high enthalpy dissociative chemistry effects. Following Rasmussen [4], self-similar differential equations valid for spherical and cylindrical geometries that are modified to focus on the shock curvature induced vorticity in the immediate region of the shock are solved to provide a calorically perfect estimate for shock standoff distance that yields good agreement with classical theory. While useful as a limiting case, strong shock (high enthalpy) calorically perfect results required modification to include the effects of dissociative thermo-chemistry. Using a dissociative ideal gas model for dissociative equilibrium behavior combined with shock Hugoniot constraints we solve to provide thermodynamic modifications to the shock density jump thereby sensitizing the simpler result for high enthalpy effects. The resulting estimates are then compared to high enthalpy stand-off data from literature, recent dedicated high speed shock tunnel measurements and multi-temperature partitioned implementation CFD data sets. Generally, the theoretical results derived here compared well with these data sources, suggesting that the current formulation provides an approximate but useful estimate for shock stand-off distance.

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.

Lithium-ion batteries are typically modeled using porous electrode theory coupled with various transport and reaction mechanisms, along with suitable discretization or approximations for the solid-phase diffusion equation. The solid-phase diffusion equation represents the main computational burden for typical pseudo-2-dimensional (p2D) models since these equations in the pseudo r-dimension must be solved at each point in the computational grid. This substantially increases the complexity of the model as well as the computational time. Traditional approaches towards simplifying solid-phase diffusion possess certain significant limitations, especially in modeling emerging electrode materials which involve phase changes and variable diffusivities. A computationally efficient representation for solid-phase diffusion is discussed in this paper based on symmetric polynomials using Orthogonal Collocation and Galerkin formulation (weak form). A systematic approach is provided to increase the accuracy of the approximation (p form in finite element methods) to enable efficient simulation with a minimal number of semi-discretized equations, ensuring mass conservation even for non-linear diffusion problems involving variable diffusivities. These methods are then demonstrated by incorporation into the full p2D model, illustrating their advantages in simulating high C-rates and short-time dynamic operation of Lithium-ion batteries.