Publications

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Structural alloys may experience corrosion when exposed to molten chloride salts due to selective dissolution of active alloying elements. One way to prevent this is to make the molten salt reducing. For the KCl + MgCl2 eutectic salt mixture, pure Mg can be added to achieve this. However, Mg can form intermetallic compounds with nickel at high temperatures, which may cause alloy embrittlement. This study shows that an optimum level of excess Mg could be added to the molten salt which will prevent corrosion of alloys like 316 H, while not forming any detectable Ni-Mg intermetallic phases on Ni-rich alloy surfaces.

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We present a distributed Brillouin fiber sensor that operates by exciting a series of discrete lasing modes. This approach provides inherently wide dynamic range (5m) while the narrow linewidth lasing modes enable low noise (8n/Hz)

This work presents a high-speed laser-absorption-spectroscopy diagnostic capable of measuring temperature, pressure, and nitric oxide (NO) mole fraction in shock-heated air at a measurement rate of 500 kHz. This diagnostic was demonstrated in the High-Temperature Shock Tube (HST) facility at Sandia National Laboratories. The diagnostic utilizes a quantum-cascade laser to measure the absorbance spectra of two rovibrational transitions near 5.06 µm in the fundamental vibration bands (v" = 0 and 1) of NO in its ground electronic state (X2 Π1/2 ). Gas properties were determined using scanned-wavelength direct absorption and a recently established fitting method that utilizes a modified form of the time-domain molecular free-induction-decay signal (m-FID). This diagnostic was applied to acquire measurements in shock-heated air in the HST at temperatures ranging from approximately 2500 to 5500 K and pressures of 3 to 12 atm behind both incident and reflected shocks. The measurements agree well with the temperature predicted by NASA CEA and the pressure measured simultaneously using PCB pressure sensors. The measurements presented demonstrate that this diagnostic is capable of resolving the formation of NO in shock-heated air and the associated temperature change at the conditions studied.

Area efficient self-correcting flip-flops for use with triple modular redundant (TMR) soft-error hardened logic are implemented in a 12-nm finFET process technology. The TMR flip-flop slave latches self-correct in the clock low phase using Muller C-elements in the latch feedback. These C-elements are driven by the two redundant stored values and not by the slave latch itself, saving area over a similar implementation using majority gate feedback. These flip-flops are implemented as large shift-register arrays on a test chip and have been experimentally tested for their soft-error mitigation in static and dynamic modes of operation using heavy ions and protons. We show how high clock skew can result in susceptibility to soft-errors in the dynamic mode, and explain the potential failure mechanism.

This report summarizes the work performed under a project funded by U.S. DOE Solar Energy Technologies Office (SETO) to use grid edge measurements to calibrate distribution system models for improved planning and grid integration of solar PV. Several physics-based data-driven algorithms are developed to identify inaccuracies in models and to bring increased visibility into distribution system planning. This includes phase identification, secondary system topology and parameter estimation, meter-to-transformer pairing, medium-voltage reconfiguration detection, determination of regulator and capacitor settings, PV system detection, PV parameter and setting estimation, PV dynamic models, and improved load modeling. Each of the algorithms is tested using simulation data and demonstrated on real feeders with our utility partners. The final algorithms demonstrate the potential for future planning and operations of the electric power grid to be more automated and data-driven, with more granularity, higher accuracy, and more comprehensive visibility into the system.

Heat waves are increasing in severity, duration, and frequency, making historical weather patterns insufficient for assessments of building resilience. This work introduces a stochastic weather generator called the multi-scenario extreme weather simulator (MEWS) that produces credible future heat waves. MEWS calculates statistical parameters from historical weather data and then shifts them using climate projections of increasing severity and frequency. MEWS is demonstrated using the EnergyPlus medium office prototype model for climate zone 4B using five climate scenarios to 2060. The results show how changes in climate and heat waves affect electric loads, peak loads, and thermal comfort with uncertainty.

With machine learning (ML) technologies rapidly expanding to new applications and domains, users are collaborating with artificial intelligence-assisted diagnostic tools to a larger and larger extent. But what impact does ML aid have on cognitive performance, especially when the ML output is not always accurate? Here, we examined the cognitive effects of the presence of simulated ML assistance-including both accurate and inaccurate output-on two tasks (a domain-specific nuclear safeguards task and domain-general visual search task). Patterns of performance varied across the two tasks for both the presence of ML aid as well as the category of ML feedback (e.g., false alarm). These results indicate that differences such as domain could influence users' performance with ML aid, and suggest the need to test the effects of ML output (and associated errors) in the specific context of use, especially when the stimuli of interest are vague or ill-defined.

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic ℎ-adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

Snow and ice accumulation on photovoltaic (PV) panels is a recognized-but poorly quantified-contributor to PV performance, not only in geographic areas that see persistent snow in winter but also at lower latitudes, where frozen precipitation and 'snowmageddon' events can wreak havoc with the solar infrastructure. In addition, research on the impact of snow and cold on PV systems has not kept pace with the proliferation of new technologies, the rapid deployment of PV in northern latitudes, and experiences with long-term field performance. This paper describes the value of a dedicated outdoor research facility for longitudinal performance and reliability studies of emerging technologies in cold climates.

In order to evaluate the time evolution of avalanche breakdown in wide and ultra-wide bandgap devices, we have developed a cable pulser experimental setup that can evaluate the time-evolution of the terminating impedance for a semiconductor device with a time resolution of 130 ps. We have utilized this pulser setup to evaluate the time-to-breakdown of vertical Gallium Nitride and Silicon Carbide diodes for possible use as protection elements in the electrical grid against fast transient voltage pulses (such as those induced by an electromagnetic pulse event). We have found that the Gallium Nitride device demonstrated faster dynamics compared to the Silicon Carbide device, achieving 90% conduction within 1.37 ns compared to the SiC device response time of 2.98 ns. While the Gallium Nitride device did not demonstrate significant dependence of breakdown time with applied voltage, the Silicon Carbide device breakdown time was strongly dependent on applied voltage, ranging from a value of 2.97 ns at 1.33 kV to 0.78 ns at 2.6 kV. The fast response time (< 5 ns) of both the Gallium Nitride and Silicon Carbide devices indicate that both materials systems could meet the stringent response time requirements and may be appropriate for implementation as protection elements against electromagnetic pulse transients.

The state of charge (SoC) estimated by Battery Management Systems (BMSs) could be vulnerable to False Data Injection Attacks (FDIAs), which aim to disturb state estimation. Inaccurate SoC estimation, due to attacks or suboptimal estimators, could lead to thermal runaway, accelerated degradation of batteries, and other undesirable events. In this paper, an ambient temperature-dependent model is adopted to represent the physics of a stack of three series-connected battery cells, and an Unscented Kalman Filter (UKF) is utilized to estimate the SoC for each cell. A Cumulative Sum (CUSUM) algorithm is used to detect FDIAs targeting the voltage sensors in the battery stack. The UKF was more accurate in state and measurement estimation than the Extended Kalman Filter (EKF) for Maximum Absolute Error (MAE) and Root Mean Squared Error (RMSE). The CUSUM algorithm described in this paper was able to detect attacks as low as ±1 mV when one or more voltage sensor was attacked under various ambient temperatures and attack injection times.

The Fusion Energy Sciences office supported “A Pilot Program for Research Traineeships to Broaden and Diversify Fusion Energy Sciences” at Sandia National Laboratories during the summer of 2021. This pilot project was motivated in part by the Fusion Energy Sciences Advisory Committee report observation that “The multidisciplinary workforce needed for fusion energy and plasma science requires that the community commit to the creation and maintenance of a healthy climate of diversity, equity, and inclusion, which will benefit the community as a whole and the mission of FES”. The pilot project was designed to work with North Carolina A&T (NCAT) University and leverage SNL efforts in FES to engage underrepresented students in developing and accessing advanced material solutions for plasma facing components in fusion systems. The intent was to create an environment conducive to the development of a sense of belonging amongst participants, foster a strong sense of physics identity among the participants, and provide financial support to enable students to advance academically while earning money. The purpose of this assessment is to review what worked well and lessons that can be learned. We reviewed implementation and execution of the pilot, describe successes and areas for improvement and propose a no-cost extension of the pilot project to apply these lessons and continue engagement activities in the summer of 2022.

We present an autodifferentiable spectral modeling of exoplanets and brown dwarfs. This model enables a fully Bayesian inference of the high-dispersion data to fit the ab initio line-by-line spectral computation to the observed spectrum by combining it with the Hamiltonian Monte Carlo in recent probabilistic programming languages. An open-source code, ExoJAX (https://github.com/HajimeKawahara/exojax), developed in this study, was written in Python using the GPU/TPU compatible package for automatic differentiation and accelerated linear algebra, JAX. We validated the model by comparing it with existing opacity calculators and a radiative transfer code and found reasonable agreements for the output. As a demonstration, we analyzed the high-dispersion spectrum of a nearby brown dwarf, Luhman 16 A, and found that a model including water, carbon monoxide, and H2/He collision-induced absorption was well fitted to the observed spectrum (R = 105 and 2.28-2.30 μm). As a result, we found that T0=1295-32+35 K at 1 bar and C/O = 0.62 ± 0.03, which is slightly higher than the solar value. This work demonstrates the potential of a full Bayesian analysis of brown dwarfs and exoplanets as observed by high-dispersion spectrographs and also directly imaged exoplanets as observed by high-dispersion coronagraphy.

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Modern distribution systems can accommodate different topologies through controllable tie lines for increasing the reliability of the system. Estimating the prevailing circuit topology or configuration is of particular importance at the substation for different applications to properly operate and control the distribution system. One of the applications of circuit configuration estimation is adaptive protection. An adaptive protection system relies on the communication system infrastructure to identify the latest status of power. However, when the communication links to some of the equipment are outaged, the adaptive protection system may lose its awareness over the status of the system. Therefore, it is necessary to estimate the circuit status using the available healthy communicated data. This paper proposes the use of machine learning algorithms at the substation to estimate circuit configuration when the communication to the tie breakers is compromised. Doing so, the adaptive protection system can identify the correct protection settings corresponding to the estimated circuit topology. The effectiveness of the proposed approach is verified on IEEE 123 bus test system.

Nonlinear force appropriation is an extension of its linear counterpart where sinusoidal excitation is applied to a structure with a modal shaker and phase quadrature is achieved between the excitation and response. While a standard practice in modal testing, modal shaker excitation has the potential to alter the dynamics of the structure under test. Previous studies have been conducted to address several concerns, but this work specifically focuses on a shaker-structure interaction phenomenon which arises during the force appropriation testing of a nonlinear structure. Under pure-tone sinusoidal forcing, a nonlinear structure may respond not only at the fundamental harmonic but also potentially at sub- or superharmonics, or it can even produce aperiodic and chaotic motion in certain cases. Shaker-structure interaction occurs when the response physically pushes back against the shaker attachment, producing non-fundamental harmonic content in the force measured by the load cell, even for pure tone voltage input to the shaker. This work develops a model to replicate these physics and investigates their influence on the response of a nonlinear normal mode of the structure. Experimental evidence is first provided that demonstrates the generation of harmonic content in the measured load cell force during a force appropriation test. This interaction is replicated by developing an electromechanical model of a modal shaker attached to a nonlinear, three-mass dynamical system. Several simulated experiments are conducted both with and without the shaker model in order to identify which effects are specifically due to the presence of the shaker. The results of these simulations are then compared to the undamped nonlinear normal modes of the structure under test to evaluate the influence of shaker-structure interaction on the identified system's dynamics.

Two techniques were developed to allow users of microfabricated surface ion traps to detect RF breakdown as soon as it happens, without needing to remove devices from vacuum and look at them with a microscope.

A new small-scale pressure vessel with a 5×5 fuel assembly and axially truncated PWR hardware was created to simulate commercial vacuum drying processes. This test assembly, known as the Dashpot Drying Apparatus, was built to focus on the drying of a single PWR dashpot and surrounding fuel. Drying operations were simulated for three tests with the DDA based on the pressure and temperature histories observed in the HBDP. All three tests were conducted with an empty guide tube. One test was performed with deionized water as the fill fluid. The other two tests used 0.2 M boric acid as the fill fluid to accurately simulate spent fuel pool conditions. These tests proved the capability of the DDA to mimic commercial drying processes on a limited scale and detect the presence of bulk and residual water. Furthermore, for all tests, pressure remained below the 0.4 kPa (3 Torr) rebound threshold for the final evacuation step in the drying procedure. Results indicate that after bulk fluid is removed from the pressure vessel, residual water is verifiably measured through confirmatory measurements of pressure and water content using a mass spectrometer. The final pressure rebound behaviors for the three tests conducted were well below the established regulatory limit of less than 0.4 kPa (3 Torr) within 30 minutes of isolation. The water content measurements across all tests showed that despite observing high water content within the DDA vessel at the beginning of the vacuum isolations, the water content drastically drops to below 1,200 ppmv after the isolations were conducted. The data and operational experience from these tests will guide the next evolution of experiments on a prototypic-length scale with multiple surrogate rods in a full 17×17 PWR assembly. The insight gained through these investigations is expected to support the technical basis for the continued safe storage of spent nuclear fuel into long term operations.

This report describes recommended abuse testing procedures for rechargeable energy storage systems (RESSs) for electric vehicles. This report serves as a revision to the USABC Electrical Energy Storage System Abuse Test Manual for Electric and Hybrid Electric Vehicle Applications (SAND99-0497).

Abstract not provided.

Calibrating a finite element model to test data is often required to accurately characterize a joint, predict its dynamic behavior, and determine fastener fatigue life. In this work, modal testing, model calibration, and fatigue analysis are performed for a bolted structure, and various joint modeling techniques are compared. The structure is designed to test a single bolt to fatigue failure by utilizing an electrodynamic modal shaker to axially force the bolted joint at resonance. Modal testing is done to obtain the dynamic properties, evaluate finite element joint modeling techniques, and assess the effectiveness of a vibration approach to fatigue testing of bolts. Results show that common joint models can be inaccurate in predicting bolt loads, and even when updated using modal test data, linear structural models alone may be insufficient in evaluating fastener fatigue.

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Modern day processes depend heavily on data-driven techniques that use large datasets clustered into relevant groups help them achieve higher efficiency, better utilization of the operation, and improved decision making. However, building these datasets and clustering by similar products is challenging in research environments that produce many novel and highly complex low-volume technologies. In this work, the author develops an algorithm that calculates the similarity between multiple low-volume products from a research environment using a real-world data set. The algorithm is applied to pulse power operations data, which routinely performs novel experiments for inertial confinement fusion, radiation effects, and nuclear stockpile stewardship. The author shows that the algorithm is successful in calculating similarity between experiments of varying complexity such that comparable shots can be used for further analysis. Furthermore, it has been able to identify experiments not traditionally seen as identical.

This study presents a method that can be used to gain information relevant to determining the corrosion risk for spent nuclear fuel (SNF) canisters during extended dry storage. Currently, it is known that stainless steel canisters are susceptible to chloride-induced stress corrosion cracking (CISCC). However, the rate of CISCC degradation and the likelihood that it could lead to a through-wall crack is unknown. This study uses well-developed computational fluid dynamics and particle-tracking tools and applies them to SNF storage to determine the rate of deposition on canisters. The deposition rate is determined for a vertical canister system and a horizontal canister system, at various decay heat rates with a uniform particle size distribution, ranging from 0.25 to 25 µm, used as an input. In all cases, most of the dust entering the overpack passed through without depositing. Most of what was retained in the overpack was deposited on overpack surfaces (e.g., inlet and outlet vents); only a small fraction was deposited on the canister itself. These results are provided for generalized canister systems with a generalized input; as such, this technical note is intended to demonstrate the technique. This study is a part of an ongoing effort funded by the U.S. Department of Energy, Nuclear Energy Office of Spent Fuel Waste Science and Technology, which is tasked with doing research relevant to developing a sound technical basis for ensuring the safe extended storage and subsequent transport of SNF. This work is being presented to demonstrate a potentially useful technique for SNF canister vendors, utilities, regulators, and stakeholders to utilize and further develop for their own designs and site-specific studies.

The postclosure criticality safety assessment for the direct disposal of dual-purpose canisters (DPCs) in a geologic repository includes considerations of transient criticality phenomena. The power pulse from a hypothetical transient criticality event in an unsaturated alluvial repository is evaluated for a DPC containing 37 spent pressurized water reactor (PWR) assemblies. The scenario assumes that the conditions for baseline criticality are achieved through flooding with groundwater and progressive failure of neutron absorbing media. A preliminary series of steady-state criticality calculations is conducted to characterize reactivity feedback due to absorber degradation, Doppler broadening, and thermal expansion. These feedback coefficients are used in an analysis with a reactor kinetics code to characterize the transient pulse given a positive reactivity insertion for a given length of time. The time-integrated behavior of the pulse can be used to model effects on the DPC and surrounding barriers in future studies and determine if transient criticality effects are consequential.

Sandia provided technical assistance to Kit Carson Electric Cooperative (KCEC) to assess the technical merits of a proposed community resilience microgrid project in the Village of El Rito, New Mexico (NM). The project includes a proposed community resilience microgrid in the Village of El Rito, NM, around the campus of Northern New Mexico College (NNMC). A conceptual microgrid analysis plan was performed, considering a campus and community-wide approach. The analysis results provided conceptual microgrid configurations, optimized according to the performance metrics defined. The campus microgrid was studied independently and many conceptual microgrid solutions were provided that met the performance requirements. Considering the existing 1.5 MW PV system on campus far exceeds the simulated campus load peak and energy demand, a small battery installation was deemed sufficient to support the campus microgrid goals. Following the analysis and consultation, it was determined that the core Resilient El Rito team will need to further investigate the results for additional economic and environmental considerations to continue toward the best approach for their goals and needs.

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To keep pace with the demand for innovation through scientific computing, modern scientific software development is increasingly reliant upon a rich and diverse ecosystem of software libraries and toolchains. Research software engineers (RSEs) responsible for that infrastructure perform highly integrative work, acting as a bridge between the hardware, the needs of researchers, and the software layers situated between them; relatively little, however, has been written about the role played by RSEs in that work and what support they need to thrive. To that end, we present a two-part report on the development of half-precision floating point support in the Kokkos Ecosystem. Half-precision computation is a promising strategy for increasing performance in numerical computing and is particularly attractive for emerging application areas (e.g., machine learning), but developing practicable, portable, and user-friendly abstractions is a nontrivial task. In the first half of the paper, we conduct an engineering study on the technical implementation of the Kokkos half-precision scalar feature and showcase experimental results; in the second half, we offer an experience report on the challenges and lessons learned during feature development by the first author. We hope our study provides a holistic view on scientific library development and surfaces opportunities for future studies into effective strategies for RSEs engaged in such work.

Femtosecond laser electronic excitation tagging (FLEET) is a powerful unseeded velocimetry technique typically used to measure one component of velocity along a line, or two or three components from a dot. In this Letter, we demonstrate a dotted-line FLEET technique which combines the dense profile capability of a line with the ability to perform two-component velocimetry with a single camera on a dot. Our set-up uses a single beam path to create multiple simultaneous spots, more than previously achieved in other FLEET spot configurations. We perform dotted-line FLEET measurements downstream of a highly turbulent, supersonic nitrogen free jet. Dotted-line FLEET is created by focusing light transmitted by a periodic mask with rectangular slits of 1.6 × 40 mm2 and an edge-to-edge spacing of 0.5 mm, then focusing the imaged light at the measurement region. Up to seven symmetric dots spaced approximately 0.9 mm apart, with mean full-width at half maximum diameters between 150 and 350 µm, are simultaneously imaged. Both streamwise and radial velocities are computed and presented in this Letter.

This paper focuses on the development and testing of spoofing detection and localization techniques that rely only on clock deviations to identify threat signals. Detection methods that rely on dynamic receiver geometries to triangulate threat locations or signal geometry to identify spoofing are not considered here. Instead this paper focuses on single antenna receivers and assumes the receiver tracks only the inauthentic signal. The quality of the receiver clock has a significant impact on the performance of the receiver tracking loops. Low quality clocks have frequency instabilities that inherently limit the sensitivity of the receiver to slow growing errors. Some clocks provide better frequency stabilities but have a higher white frequency noise that can induce false detections. Because of these trends, various detection methods are tested with four types of receiver and transmitter clocks of varying quality.

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The visualization community has invested decades of research and development into producing large-scale production visualization tools. Although in situ is a paradigm shift for large-scale visualization, much of the same algorithms and operations apply regardless of whether the visualization is run post hoc or in situ. Thus, there is a great benefit to taking the large-scale code originally designed for post hoc use and leveraging it for use in situ. This chapter describes two in situ libraries, Libsim and Catalyst, that are based on mature visualization tools, VisIt and ParaView, respectively. Because they are based on fully-featured visualization packages, they each provide a wealth of features. For each of these systems we outline how the simulation and visualization software are coupled, what the runtime behavior and communication between these components are, and how the underlying implementation works. We also provide use cases demonstrating the systems in action. Both of these in situ libraries, as well as the underlying products they are based on, are made freely available as open-source products. The overviews in this chapter provide a toehold to the practical application of in situ visualization.

The paper proposes an implementation of Graph Neural Networks (GNNs) for distribution power system Traveling Wave (TW) - based protection schemes. Simulated faults on the IEEE 34 system are processed by using the Karrenbauer Transform and the Stationary Wavelet Transform (SWT), and the energy of the resulting signals is calculated using the Parseval's Energy Theorem. This data is used to train Graph Convolutional Networks (GCNs) to perform fault zone location. Several levels of measurement noise are considered for comparison. The results show outstanding performance, more than 90% for the most developed models, and outline a fast, reliable, asynchronous and distributed protection scheme for distribution level networks.

Monitoring cavern leaching after each calendar year of oil sales is necessary to support cavern stability efforts and long-term availability for oil drawdowns in the U.S. Strategic Petroleum Reserve. Modeling results from the SANSMIC code and recent sonars are compared to show projected changes in the cavern’s geometry due to leaching from raw-water injections. This report aims to give background on the importance of monitoring cavern leaching and provide a detailed explanation of the process used to create the leaching plots used to monitor cavern leaching. In the past, generating leaching plots for each cavern in a given leaching year was done manually, and every cavern had to be processed individually. A Python script, compatible with Earth Volumetric Studio, was created to automate most of the process. The script makes a total of 26 plots per cavern to show leaching history, axisymmetric representation of leaching, and SANSMIC modeling of future leaching. The current run time for the script is one hour, replacing 40-50 hours of the monitoring cavern leaching process.

The resonant plate shock test is a dynamic test of a mid-field pyroshock environment where a projectile is struck against a plate. The structure undergoing the simulated field shock is mounted to the plate. The plate resonates when struck and provides a two sided shock that is representative of the shock observed in the field. This test environment shock simulates a shock in a single coordinate direction for components looking to provide evidence that they will survive a similar or less shock when deployed in their operating environment. However, testing in one axis at a time provides many challenges. The true environment is a multi-axis environment. The test environment exhibits strong off-axis motion when only motion in one axis is desired. Multiple fixtures are needed for a single test series. It would be advantageous if a single test could be developed that tests the multi-axis environment simultaneously. In order to design such a test, a model must be developed and validated. The model can be iterated in design and configuration until the specified multi-axis environment is met. The test can then execute the model driven test design. This report discusses the resonant plate model needed to design future tests and the steps and methods used to obtain the model. This report also details aspects of the resonant plate test discovered during the process of model development that aids in our understanding of the test.

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A primary objective of repository modeling is identification and assessment of features and processes providing safety performance. Sensitivity analyses typically provide information on how input parameters affect performance, not features and processes. To quantify the effects of features and processes, tracers can be introduced virtually in model simulations and tracked in informative ways. This paper describes five ways virtual tracers can be used to directly measure the relative importance of several features, processes, and combinations of features and processes in repository performance assessment modeling.

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We present a procedure for randomly generating realistic steady-state contingency scenarios based on the historical outage data from a particular event. First, we divide generation into classes and fit a probability distribution of outage magnitude for each class. Second, we provide a method for randomly synthesizing generator resilience levels in a way that preserves the data-driven probability distributions of outage magnitude. Finally, we devise a simple method of scaling the storm effects based on a single global parameter. We apply our methods using data from historical Winter Storm Uri to simulate contingency events for the ACTIVSg2000 synthetic grid on the footprint of Texas.

Any program tasked with the evaluation and acquisition of algorithms for use in deployed scenarios must have an impartial, repeatable, and auditable means of benchmarking both candidate and fielded algorithms. Success in this endeavor requires a body of representative sensor data, data labels indicating the proper algorithmic response to the data as adjudicated by subject matter experts, a means of executing algorithms under review against the data, and the ability to automatically score and report algorithm performance. Each of these capabilities should be constructed in support of program and mission goals. By curating and maintaining data, labels, tests, and scoring methodology, a program can understand and continually improve the relationship between benchmarked and fielded performance of acquired algorithms. A system supporting these program needs, deployed in an environment with sufficient computational power and necessary security controls is a powerful tool for ensuring due diligence in evaluation and acquisition of mission critical algorithms. This paper describes the Seascape system and its place in such a process.

In high temperature (HT) environments often encountered in geothermal wells, data rate transfers for downhole instrumentation are relatively limited due to transmission line bandwidth and insertion loss and the processing speed of HT microcontrollers. In previous research, Sandia National Laboratory Geothermal Department obtained 3.8 Mbps data rates over 1524 m (5000 ft) for single conductor wireline cable with less than a 1x10-8 bit error rate utilizing low temperature NITM hardware (formerly National InstrumentsTM). Our protocol technique was a combination of orthogonal frequency-division multiplexing and quadrature amplitude modulation across the bandwidth of the single conductor wireline. This showed it is possible to obtain high data rates in low bandwidth wirelines. This paper focuses on commercial HT microcontrollers (µC), rather than low temperature NITM modules, to enable high-speed communication in an HT environment. As part of this effort, four devices were evaluated, and an optimal device (SM320F28335-HT) was selected for its high clock rates, floating-point unit, and on-board analog-to-digital converter. A printed circuit board was assembled with the HT µC, an HT resistor digital-to-analog converter, and an HT line driver. The board was tested at the microcontroller's rated maximum temperature (210°C) for a week while transmitting through a 1524 m (5000 ft) wireline. A final test was conducted to the point of failure at elevated temperatures. This paper will discuss communication methods, achieved data rates, and hardware selection. This effort contributes to the enhancement of HT instrumentation by enabling greater sensor counts and improving data accuracy and transfer rates.

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Dynamical systems containing contact/impact between parts can be modeled as piecewise-smooth reduced-order models. The most common example is freeplay, which can manifest as a loose support, worn hinges, or backlash. Freeplay causes very complex, nonlinear responses in a system that range from isolated resonances to grazing bifurcations to chaos. This can be an issue because classical solution methods, such as direct time integration (e.g., Runge-Kutta) or harmonic balance methods, can fail to accurately detect some of the nonlinear behavior or fail to run altogether. To deal with this limitation, researchers often approximate piecewise freeplay terms in the equations of motion using continuous, fully smooth functions. While this strategy can be convenient, it may not always be appropriate for use. For example, past investigation on freeplay in an aeroelastic control surface showed that, compared to the exact piecewise representation, some approximations are not as effective at capturing freeplay behavior as other ones. Another potential issue is the effectiveness of continuous representations at capturing grazing contacts and grazing-type bifurcations. These can cause the system to transition to high-amplitude responses with frequent contact/impact and be particularly damaging. In this work, a bifurcation study is performed on a model of a forced Duffing oscillator with freeplay nonlinearity. Various representations are used to approximate the freeplay including polynomial, absolute value, and hyperbolic tangent representations. Bifurcation analysis results for each type are compared to results using the exact piecewise-smooth representation computed using MATLAB® Event Location. The effectiveness of each representation is compared and ranked in terms of numerical accuracy, ability to capture multiple response types, ability to predict chaos, and computation time.

A critical parameter for the well integrity in geothermal storage and production wells subjected to frequent thermal cycling is the interface between the steel and cement. In geothermal energy storage and energy production wells an insulating cement sheath is necessary to minimize heat losses through the heat uptake by cooler rock formations with high thermal conductivity. Also critical parameters for the well integrity in geothermal storage and production wells subjected to frequent thermal cycling is the interface between metal casing and cement composite. A team from Sandia and Brookhaven National Labs is evaluating special cement formulations to facilitate use during severe and repeated thermal cycling in geothermal wells; this paper reports on recent finding using these more recently developed cements. For this portion of the laboratory study we report on preliminary results from subjecting this cement to high temperature (T> 200°C), at a confining pressure of 13.8 MPa, and pore water pressure of 10.4 MPa. Building on previous work, we studied two sample types; solid cement and a steel cylinder sheathed with cement. In the first sample type we measured fluid flow at increasing elevated temperatures and pressure. In the second sample type, we flowed water through the inside of the steel cylinder rapidly to develop an inner to outer thermal gradient using this specialized test geometry. In the paper we report on water permeability estimates at elevated temperatures and the results of rapid thermal cycling of a steel/cement interface. Posttest observations of the steel-cement interface reveal insight into the nature of the steel/cement bond.

Abstract not provided.

This is an addendum to the Sierra/SolidMechanics 5.4 User’s Guide that documents additional capabilities available only in alternate versions of the Sierra/SolidMechanics (Sierra/SM) code. These alternate versions are enhanced to provide capabilities that are regulated under the U.S. Department of State’s International Traffic in Arms Regulations (ITAR) export control rules. The ITAR regulated codes are only distributed to entities that comply with the ITAR export control requirements. The ITAR enhancements to Sierra/SM include material models with an energy-dependent pressure response (appropriate for very large deformations and strain rates) and capabilities for blast modeling. This document is an addendum only; the standard Sierra/SolidMechanics 5.4 User’s Guide should be referenced for most general descriptions of code capability and use.

Propagating thermal runaway events are a significant threat to utility-scale storage installations. A propagating thermal runaway event is a cascading series of failures in which energy released from a failed cell triggers subsequent failures in nearby cells. Without intervention, propagation can turn an otherwise manageable single cell failure into a full system conflagration. This study presents a method of mitigating the severity of propagating thermal runaway events in utility-scale storage systems by leveraging the capabilities of a module-interfaced power conversion architecture. The method involves strategic depletion of storage modules to delay or arrest propagation, reducing the total thermal energy released in the failure event. The feasibility of the method is assessed through simulations of propagating thermal runaway events in a 160 kW/80 kWh energy storage system.

Numerical simulations of pressure-shear loading of a granular material are performed using the shock physics code CTH. A simple mesoscale model for the granular material is used that consists of a randomly packed arrangement of solid circular or spherical grains of uniform size separated by vacuum. The grain material is described by a simple shock equation of state, elastic perfectly plastic strength model, and fracture model with baseline parameters for WC taken from previous mesoscale modeling work. Simulations using the baseline material parameters are performed at the same initial conditions of pressure-shear experiments on dry WC powders. Except for some localized flow regions appearing in simulations with an approximate treatment of sliding interfaces among grains, the samples respond elastically during shear, which is in contrast to experimental observations. By extending the simulations to higher shear wave amplitudes, macroscopic shear failure of the simulated samples is observed with the shear strength increasing with increasing stress confinement. The shear strength is also found to be strongly dependent on the grain interface treatment and on the fracture stress of the grains, though the variation in shear strength due to fracture stress decreases with increasing stress confinement. At partial compactions, the transverse velocity histories show strain-hardening behavior followed by formation of a shear interface that extends through the transverse dimensions of the sample. Near full compaction, no strain hardening is observed and, instead, the sample transitions sharply from an elastic response to formation of an internal shear interface. Agreement with experiment is shown to worsen with increasing confinement stress with simulations overpredicting the shear strengths measured in experiment. The source of the disagreement can be ultimately attributed to the Eulerian nature of the simulations, which do not treat contact and fracture realistically.

In the summer of 2020, the National Aeronautics and Space Administration (NASA) launched a spacecraft as part of the Mars 2020 mission. The rover on the spacecraft uses a Multi-Mission Radioisotope Thermoelectric Generator (MMRTG) to provide continuous electrical and thermal power for the mission. The MMRTG uses radioactive plutonium dioxide. NASA prepared a Supplemental Environmental Impact Statement (SEIS) for the mission in accordance with the National Environmental Policy Act. The SEIS provides information related to updates to the potential environmental impacts associated with the Mars 2020 mission as outlined in the Final Environmental Impact Statement (FEIS) for the Mars 2020 Mission issued in 2014 and associated Record of Decision (ROD) issued in January 2015. The Nuclear Risk Assessment (NRA) 2019 Update includes new and updated Mars 2020 mission information since the publication of the 2014 FEIS and the updates to the Launch Approval Process with the issuance of Presidential Memorandum on Launch of Spacecraft Containing Space Nuclear Systems, National Security Presidential Memorandum 20 (NSPM-20). The NRA 2019 Update addresses the responses of the MMRTG to potential accident and abort conditions during the launch opportunity for the Mars 2020 mission and the associated consequences. This information provides the technical basis for the radiological risks discussed in the SEIS. This paper provides a summary of the methods and results used in the NRA 2019 Update.

This paper presents a run-to-run (R2R) controller for mechanical serial sectioning (MSS). MSS is a destructive material analysis process which repeatedly removes a thin layer of material and images the exposed surface. The images are then used to gain insight into the material properties and often to construct a 3-dimensional reconstruction of the material sample. Currently, an experience human operator selects the parameters of the MSS to achieve the desired thickness. The proposed R2R controller will automate this process while improving the precision of the material removal. The proposed R2R controller solves an optimization problem designed to minimize the variance of the material removal subject to achieving the expected target removal. This optimization problem was embedded in an R2R framework to provide iterative feedback for disturbance rejection and convergence to the target removal amount. Since an analytic model of the MSS system is unavailable, we adopted a data-driven approach to synthesize our R2R controller from historical data. The proposed R2R controller is demonstrated through simulations. Future work will empirically demonstrate the proposed R2R through experiments with a real MSS system.

Deep operator learning has emerged as a promising tool for reduced-order modelling and PDE model discovery. Leveraging the expressive power of deep neural networks, especially in high dimensions, such methods learn the mapping between functional state variables. While proposed methods have assumed noise only in the dependent variables, experimental and numerical data for operator learning typically exhibit noise in the independent variables as well, since both variables represent signals that are subject to measurement error. In regression on scalar data, failure to account for noisy independent variables can lead to biased parameter estimates. With noisy independent variables, linear models fitted via ordinary least squares (OLS) will show attenuation bias, wherein the slope will be underestimated. In this work, we derive an analogue of attenuation bias for linear operator regression with white noise in both the independent and dependent variables, showing that the norm upper bound of the operator learned via OLS decreases with increasing noise in the independent variable. In the nonlinear setting, we computationally demonstrate underprediction of the action of the Burgers operator in the presence of noise in the independent variable. We propose error-in-variables (EiV) models for two operator regression methods, MOR-Physics and DeepONet, and demonstrate that these new models reduce bias in the presence of noisy independent variables for a variety of operator learning problems. Considering the Burgers operator in 1D and 2D, we demonstrate that EiV operator learning robustly recovers operators in high-noise regimes that defeat OLS operator learning. We also introduce an EiV model for time-evolving PDE discovery and show that OLS and EiV perform similarly in learning the Kuramoto-Sivashinsky evolution operator from corrupted data, suggesting that the effect of bias in OLS operator learning depends on the regularity of the target operator.

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Iterative methods for solving linear systems serve as a basic building block for computational science. The computational cost of these methods can be significantly influenced by the round-off errors that accumulate as a result of their implementation in finite precision. In the extreme case, round-off errors that occur in practice can completely prevent an implementation from satisfying the accuracy and convergence behavior prescribed by its underlying algorithm. In the exascale era where cost is paramount, a thorough and rigorous analysis of the delay of convergence due to round-off should not be ignored. In this paper, we use a small model problem and the Jacobi iterative method to demonstrate how the Coq proof assistant can be used to formally specify the floating-point behavior of iterative methods, and to rigorously prove the accuracy of these methods.

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Given a graph, finding the distance-2 maximal independent set (MIS-2) of the vertices is a problem that is useful in several contexts such as algebraic multigrid coarsening or multilevel graph partitioning. Such multilevel methods rely on finding the independent vertices so they can be used as seeds for aggregation in a multilevel scheme. We present a parallel MIS-2 algorithm to improve performance on modern accelerator hardware. This algorithm is implemented using the Kokkos programming model to enable performance portability. We demonstrate the portability of the algorithm and the performance on a variety of architectures (x86/ARM CPUs and NVIDIA/AMD GPUs). The resulting algorithm is also deterministic, producing an identical result for a given input across all of these platforms. The new MIS-2 implementation outperforms implementations in state of the art libraries like CUSP and ViennaCL by 3-8x while producing similar quality results. We further demonstrate the benefits of this approach by developing parallel graph coarsening scheme for two different use cases. First, we develop an algebraic multigrid (AMG) aggregation scheme using parallel MIS-2 and demonstrate the benefits as opposed to previous approaches used in the MueLu multigrid package in Trilinos. We also describe an approach for implementing a parallel multicolor 'cluster' Gauss-Seidel preconditioner using this MIS-2 coarsening, and demonstrate better performance with an efficient, parallel, mul-ticolor Gauss-Seidel algorithm.

This work explores deriving transmissibility functions for a missile from a measured location at the base of the fairing to a desired location within the payload. A pressure on the outside of the fairing and the rocket motor’s excitation creates an acceleration at a measured location and a desired location. Typically, the desired location is not measured. In fact, it is typical that the payload may change, but measured acceleration at the base of the fairing is generally similar to previous test flights. Given this knowledge, it is desired to use a finite-element model to create a transmissibility function which relates acceleration from the previous test flight’s measured location at the base of the fairing to acceleration at a location in the new payload. Four methods are explored for deriving this transmissibility, with the goal of finding an appropriate transmissibility when both the pressure and rocket motor excitation are equally present. These methods are assessed using transient results from a simple example problem, and it is found that one of the methods gives good agreement with the transient results for the full range of loads considered.

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic ℎ-adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

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This paper presents the formulation, implementation, and demonstration of a new, largely phenomenological, model for the damage-free (micro-crack-free) thermomechanical behavior of rock salt. Unlike most salt constitutive models, the new model includes both drag stress (isotropic) and back stress (kinematic) hardening. The implementation utilizes a semi-implicit scheme and a fall-back fully-implicit scheme to numerically integrate the model's differential equations. Particular attention was paid to the initial guesses for the fully-implicit scheme. Of the four guesses investigated, an initial guess that interpolated between the previous converged state and the fully saturated hardening state had the best performance. The numerical implementation was then used in simulations that highlighted the difference between drag stress hardening versus combined drag and back stress hardening. Simulations of multi-stage constant stress tests showed that only combined hardening could qualitatively represent reverse (inverse transient) creep, as well as the large transient strains experimentally observed upon switching from axisymmetric compression to axisymmetric extension. Simulations of a gas storage cavern subjected to high and low gas pressure cycles showed that combined hardening led to substantially greater volume loss over time than drag stress hardening alone.

An array of Wave Energy Converters (WEC) is required to supply a significant power level to the grid. However, the control and optimization of such an array is still an open research question. This paper analyzes two aspects that have a significant impact on the power production. First the spacing of the buoys in a WEC array will be analyzed to determine the optimal shift between the buoys in an array. Then the wave force interacting with the buoys will be angled to create additional sequencing between the electrical signals. A cost function is proposed to minimize the power variation and energy storage while maximizing the delivered energy to the onshore point of common coupling to the electrical grid.

This paper presents the Symbolic Linear Covariance Analysis Tool (SLiC), a Python framework capable of simplifying the construction, verification, and analysis of aerospace systems using linear covariance analysis techniques. The framework leverages open-source libraries to enable symbolic manipulation and object-oriented abstraction to remove many of the barriers to linear covariance analysis when compared to other methods. The benefits of linear covariance analysis with Monte Carlo verification are addressed and the framework design is described. The framework is validated against existing literature results and demonstrated for a sample aerospace use case of a hypersonic entry system.

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This paper studies a novel mixed-integer linear programming (MILP) formulation on the application of mobile energy storage (MES) to assist with black-start restoration following the full blackout of an electrical network. By synthesizing techniques in the literature to model generator black start and MES activity, the formulation is the first to integrate the two concepts. Furthermore, it recognizes that the manner in which MES facilitates black-start (BS) restoration may differ depending on what component damages occurred during the event that induced the blackout. Within the IEEE 14-Bus System, testing of the formulation has not only confirmed its efficacy but also underscored circumstances where BS restoration could especially benefit from MES intervention in practice. With an MES sized at 2.59% of total MW generation capacity, in certain damage configuration categories the median load energy unserved is reduced by as much as 45.52 MWh (8.26%), and the median final load supplied is raised by as much as 22.98 MW (10.39%).

Measurements of gas-phase pressure and temperature in hypersonic flows are important to understanding fluid–structure interactions on vehicle surfaces, and to develop compressible flow turbulence models. To achieve this measurement capability, femtosecond coherent anti-Stokes Raman scattering (fs CARS) is applied at Sandia National Laboratories’ hypersonic wind tunnel. After excitation of rotational Raman transitions by a broadband femtosecond laser pulse, two probe pulses are used: one at an early time where the collisional environment has largely not affected the Raman coherence, and another at a later time after the collisional environment has led to significant J-dependent dephasing of the Raman coherence. CARS spectra from the early probe are fit for temperature, while the later CARS spectra are fit for pressure. Challenges related to implementing fs CARS in cold-flow hypersonic facilities are discussed. Excessive fs pump energy can lead to flow perturbations. The output of a second-harmonic bandwidth compressor (SHBC) is spectrally filtered using a volume Bragg grating to provide the narrowband ps probe pulses and enable single-shot CARS measurements at 1 kHz. Measurements are demonstrated at temperatures and pressures relevant to cold-flow hypersonic wind tunnels in a low-pressure cryostat with an initial demonstration in the hypersonic wind tunnel.

There is a need to perform offline anomaly detection in count data streams to simultaneously identify both systemic changes and outliers, simultaneously. We propose a new algorithmic method, called the Anomaly Detection Pipeline, which leverages common statistical process control procedures in a novel way to accomplish this. The method we propose does not require user-defined control or phase I training data, automatically identifying regions of stability for improved parameter estimation to support change point detection. The method does not require data to be normally distributed, and it detects outliers relative to the regimes in which they occur. Our proposed method performs comparably to state-of-the-art change point detection methods, provides additional capabilities, and is extendable to a larger set of possible data streams than known methods.

In this paper, we address the problem of convergence of sequential variational inference filter (VIF) through the application of a robust variational objective and H∞-norm based correction for a linear Gaussian system. As the dimension of state or parameter space grows, performing the full Kalman update with the dense covariance matrix for a large-scale system requires increased storage and computational complexity, making it impractical. The VIF approach, based on mean-field Gaussian variational inference, reduces this burden through the variational approximation to the covariance usually in the form of a diagonal covariance approximation. The challenge is to retain convergence and correct for biases introduced by the sequential VIF steps. We desire a frame-work that improves feasibility while still maintaining reasonable proximity to the optimal Kalman filter as data is assimilated. To accomplish this goal, a H∞-norm based optimization perturbs the VIF covariance matrix to improve robustness. This yields a novel VIF-H∞ recursion that employs consecutive variational inference and H∞ based optimization steps. We explore the development of this method and investigate a numerical example to illustrate the effectiveness of the proposed filter.

Grid operating security studies are typically employed to establish operating boundaries, ensuring secure and stable operation for a range of operation under NERC guidelines. However, if these boundaries are violated, the existing system security margins will be largely unknown. As an alternative to the use of complex optimizations over dynamic conditions, this work employs the use of Reinforcement-based Machine Learning to identify a sequence of secure state transitions which place the grid in a higher degree of operating security with greater static and dynamic stability margins. The approach requires the training of a Machine Learning Agent to accomplish this task using modeled data and employs it as a decision support tool under severe, near-blackout conditions.

This paper studies the differences in a synthetic inertia controller of using two different feedback measurements: (i) an estimate of the rate of change of frequency from local voltage measurements, and (ii) a remote machine acceleration from a generator nearby to the actuator. The device that provides the synthetic inertia action is a converter interfaced generator (CIG). The paper carries out analysis in the frequency domain, using Bode plots, to show that synthetic inertia control using frequency estimates is more prone to instabilities than for the case where a machine speed is used. The paper then proposes a controller (or a filter) to mitigate these effects. In addition, the paper shows the effects that a delay of the machine speed signal of the nearby generator has on the synthetic inertia control of the system and how a controller is also needed in this case. Finally, the paper shows the difference in performance of a synthetic inertia controller when using these different measurement signals with simulations in time domain a electromagnetic transient program platform.

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The proper coordination of power system protective devices is essential for maintaining grid safety and reliability but requires precise knowledge of fault current contributions from generators like solar photovoltaic (PV) systems. PV inverter fault response is known to change with atmospheric conditions, grid conditions, and inverter control settings, but this time-varying behavior may not be fully captured by conventional static fault studies that are used to evaluate protection constraints in PV hosting capacity analyses. To address this knowledge gap, hosting capacity protection constraints were evaluated on a simplified test circuit using both a time-series fault analysis and a conventional static fault study approach. A PV fault contribution model was developed and utilized in the test circuit after being validated by hardware experiments under various irradiances, fault voltages, and advanced inverter control settings. While the results were comparable for certain protection constraints, the time-series fault study identified additional impacts that would not have been captured with the conventional static approach. Overall, while conducting full time-series fault studies may become prohibitively burdensome, these findings indicate that existing fault study practices may be improved by including additional test scenarios to better capture the time-varying impacts of PV on hosting capacity protection constraints.

Ultra-Wide-Bandgap semiconductors hold great promise for future power conversion applications. Figures of Merit (FOMs) are often used as a first means to understand the impact of semiconductor material parameters on power semiconductor performance, and in particular the Unipolar (or Baliga) FOM is often cited for this purpose. However, several factors of importance for Ultra-Wide-Bandgap semiconductors are not considered in the standard treatment of this FOM. For example, the Critical Field approximation has many shortcomings, and alternative transport mechanisms and incomplete dopant ionization are typically neglected. This paper presents the results of a study aimed at incorporating some of these effects into more realistic FOM calculations.

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.4 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

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Integrating recent advancements in resilient algorithms and techniques into existing codes is a singular challenge in fault tolerance - in part due to the underlying complexity of implementing resilience in the first place, but also due to the difficulty introduced when integrating the functionality of a standalone new strategy with the preexisting resilience layers of an application. We propose that the answer is not to build integrated solutions for users, but runtimes designed to integrate into a larger comprehensive resilience system and thereby enable the necessary jump to multi-layered recovery. Our work designs, implements, and verifies one such comprehensive system of runtimes. Utilizing Fenix, a process resilience tool with integration into preexisting resilience systems as a design priority, we update Kokkos Resilience and the use pattern of VeloC to support application-level integration of resilience runtimes. Our work shows that designing integrable systems rather than integrated systems allows for user-designed optimization and upgrading of resilience techniques while maintaining the simplicity and performance of all-in-one resilience solutions. More application-specific choice in resilience strategies allows for better long-term flexibility, performance, and - importantly - simplicity.

Neural networks (NN)s have been increasingly proposed as surrogates for approximation of systems with computationally expensive physics for rapid online evaluation or exploration. As these surrogate models are integrated into larger optimization problems used for decision making, there is a need to verify their behavior to ensure adequate performance over the desired parameter space. We extend the ideas of optimization-based neural network verification to provide guarantees of surrogate performance over the feasible optimization space. In doing so, we present formulations to represent neural networks within decision-making problems, and we develop verification approaches that use model constraints to provide increasingly tight error estimates. We demonstrate the capabilities on a simple steady-state reactor design problem.

Numerical simulations of Greenland and Antarctic ice sheets involve the solution of large-scale highly nonlinear systems of equations on complex shallow geometries. This work is concerned with the construction of Schwarz preconditioners for the solution of the associated tangent problems, which are challenging for solvers mainly because of the strong anisotropy of the meshes and wildly changing boundary conditions that can lead to poorly constrained problems on large portions of the domain. Here, two-level generalized Dryja-Smith-Widlund (GDSW)-type Schwarz preconditioners are applied to different land ice problems, i.e., a velocity problem, a temperature problem, as well as the coupling of the former two problems. We employ the message passing interface (MPI)- parallel implementation of multilevel Schwarz preconditioners provided by the package FROSch (fast and robust Schwarz) from the Trilinos library. The strength of the proposed preconditioner is that it yields out-of-the-box scalable and robust preconditioners for the single physics problems. To the best of our knowledge, this is the first time two-level Schwarz preconditioners have been applied to the ice sheet problem and a scalable preconditioner has been used for the coupled problem. The preconditioner for the coupled problem differs from previous monolithic GDSW preconditioners in the sense that decoupled extension operators are used to compute the values in the interior of the subdomains. Several approaches for improving the performance, such as reuse strategies and shared memory OpenMP parallelization, are explored as well. In our numerical study we target both uniform meshes of varying resolution for the Antarctic ice sheet as well as nonuniform meshes for the Greenland ice sheet. We present several weak and strong scaling studies confirming the robustness of the approach and the parallel scalability of the FROSch implementation. Among the highlights of the numerical results are a weak scaling study for up to 32 K processor cores (8 K MPI ranks and 4 OpenMP threads) and 566 M degrees of freedom for the velocity problem as well as a strong scaling study for up to 4 K processor cores (and MPI ranks) and 68 M degrees of freedom for the coupled problem.

The Multi-Fidelity Toolkit (MFTK) is a simulation tool being developed at Sandia National Laboratories for aerodynamic predictions of compressible flows over a range of physics fidelities and computational speeds. These models include the Reynolds-Averaged Navier–Stokes (RANS) equations, the Euler equations, and modified Newtonian aerodynamics (MNA) equations, and they can be invoked independently or coupled with hierarchical Kriging to interpolate between high-fidelity simulations using lower-fidelity data. However, as with any new simulation capability, verification and validation are necessary to gather credibility evidence. This work describes formal code-and solution-verification activities. Code verification is performed on the MNA model by comparing with an analytical solution for flat-plate and inclined-plate geometries. Solution-verification activities include grid-refinement studies of HIFiRE-1 wind tunnel measurements, which are used for validation, for all model fidelities.

Ship emissions can form linear cloud structures, or ship tracks, when atmospheric water vapor condenses on aerosols in the ship exhaust. These structures are of interest because they are observable and traceable examples of MCB, a mechanism that has been studied as a potential approach for solar climate intervention. Ship tracks can be observed throughout the diurnal cycle via space-borne assets like the advanced baseline imagers on the national oceanic and atmospheric administration geostationary operational environmental satellites, the GOES-R series. Due to complex atmospheric dynamics, it can be difficult to track these aerosol perturbations over space and time to precisely characterize how long a single emission source can significantly contribute to indirect radiative forcing. We propose an optical flow approach to estimate the trajectories of ship-emitted aerosols after they begin mixing with low boundary layer clouds using GOES-17 satellite imagery. Most optical flow estimation methods have only been used to estimate large scale atmospheric motion. We demonstrate the ability of our approach to precisely isolate the movement of ship tracks in low-lying clouds from the movement of large swaths of high clouds that often dominate the scene. This efficient approach shows that ship tracks persist as visible, linear features beyond 9 h and sometimes longer than 24 h.

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Heterogeneous computing is becoming common in the HPC world. The fast-changing hardware landscape is pushing programmers and developers to rely on performance-portable programming models to rewrite old and legacy applications and develop new ones. While this approach is suitable for individual applications, outstanding challenges still remain when multiple applications are combined into complex workflows. One critical difficulty is the exchange of data between communicating applications where performance constraints imposed by heterogeneous hardware advantage different data layouts. We attempt to solve this problem by exploring asynchronous data layout conversions for applications requiring different memory access patterns for shared data. We implement the proposed solution within the DataSpaces data staging service, extending it to support heterogeneous application workflows across a broad spectrum of programming models. In addition, we integrate heterogeneous DataSpaces with the Kokkos programming model and propose the Kokkos Staging Space as an extension of the Kokkos data abstraction. This new abstraction enables us to express data on a virtual shared space for multiple Kokkos applications, thus guaranteeing the portability of each application when assembling them into an efficient heterogeneous workflow. We present performance results for the Kokkos Staging Space using a synthetic workflow emulator and three different scenarios representing access frequency and use patterns in shared data. The results show that the Kokkos Staging Space is a superior solution in terms of time-to-solution and scalability compared to existing file-based Kokkos data abstractions for inter-application data exchange.

Propagating thermal runaway events are a significant threat to utility-scale storage installations. A propagating thermal runaway event is a cascading series of failures in which energy released from a failed cell triggers subsequent failures in nearby cells. Without intervention, propagation can turn an otherwise manageable single cell failure into a full system conflagration. This study presents a method of mitigating the severity of propagating thermal runaway events in utility-scale storage systems by leveraging the capabilities of a module-interfaced power conversion architecture. The method involves strategic depletion of storage modules to delay or arrest propagation, reducing the total thermal energy released in the failure event. The feasibility of the method is assessed through simulations of propagating thermal runaway events in a 160 kW/80 kWh energy storage system.

As transistors have been scaled over the past decade, modern systems have become increasingly susceptible to faults. Increased transistor densities and lower capacitances make a particle strike more likely to cause an upset. At the same time, complex computer systems are increasingly integrated into safety-critical systems such as autonomous vehicles. These two trends make the study of system reliability and fault tolerance essential for modern systems. To analyze and improve system reliability early in the design process, new tools are needed for RTL fault analysis.This paper proposes Eris, a novel framework to identify vulnerable components in hardware designs through fault-injection and fault propagation tracking. Eris builds on ESSENT - a fast C/C++ RTL simulation framework - to provide fault injection, fault tracking, and control-flow deviation detection capabilities for RTL designs. To demonstrate Eris' capabilities, we analyze the reliability of the open source Rocket Chip SoC by randomly injecting faults during thousands of runs on four microbenchmarks. As part of this analysis we measure the sensitivity of different hardware structures to faults based on the likelihood of a random fault causing silent data corruption, unrecoverable data errors, program crashes, and program hangs. We detect control flow deviations and determine whether or not they are benign. Additionally, using Eris' novel fault-tracking capabilities we are able to find 78% more vulnerable components in the same number of simulations compared to RTL-based fault injection techniques without these capabilities. We will release Eris as an open-source tool to aid future research into processor reliability and hardening.

Demonstration of broadband nanosecond output from a burst-mode-pumped noncolinear optical parametric oscillator (NOPO) has been achieved at 40 kHz. The NOPO is pumped by 355-nm output at 50 mJ/pulse for 45 pulses. A bandwidth of 540 cm-1 was achieved from the OPO with a conversion efficiency of 10% for 5 mJ/pulse. Higher bandwidths up to 750 cm-1 were readily achievable at reduced performance and beam quality. The broadband NOPO output was used for a planar BOXCARS phase matching scheme for N2 CARS measurements in a near adiabatic H2/air flame. Single-shot CARS measurements were taken for equivalence ratios of φ=0.52-0.86 for temperatures up to 2200 K.

Interest in the application of DC Microgrids to distribution systems have been spurred by the continued rise of renewable energy resources and the dependence on DC loads. However, in comparison to AC systems, the lack of natural zero crossing in DC Microgrids makes the interruption of fault currents with fuses and circuit breakers more difficult. DC faults can cause severe damage to voltage-source converters within few milliseconds, hence, the need to quickly detect and isolate the fault. In this paper, the potential for five different Machine Learning (ML) classifiers to identify fault type and fault resistance in a DC Microgrid is explored. The ML algorithms are trained using simulated fault data recorded from a 750 VDC Microgrid modeled in PSCAD/EMTDC. The performance of the trained algorithms are tested using real fault data gathered from an operational DC Microgrid located on the Kirtland Air Force Base. Of the five ML algorithms, three could detect the fault and determine the fault type with at least 99% accuracy, and only one could estimate the fault resistance with at least 99% accuracy. By performing a self-learning monitoring and decision making analysis, protection relays equipped with ML algorithms can quickly detect and isolate faults to improve the protection operations on DC Microgrids.

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Time-resolved, absolute number densities of metastable N2(A3ς u +, v = 0, 1) molecules, ground state N2 and H atoms, and rotational-translational temperature have been measured by tunable diode laser absorption spectroscopy and two-photon absorption laser-induced fluorescence in diffuse N2 and N2-H2 plasmas during and after a nanosecond pulse discharge burst. Comparison of the measurement results with the kinetic modeling predictions, specifically the significant reduction of the N2(A3ς u +) populations and the rate of N atom generation during the burst, suggests that these two trends are related. The slow N atom decay in the afterglow, on a time scale longer than the discharge burst, demonstrates that the latter trend is not affected by N atom recombination, diffusion to the walls, or convection with the flow. This leads to the conclusion that the energy pooling in collisions of N2(A3ς u +) molecules is a major channel of N2 dissociation in electric discharges where a significant fraction of the input energy goes to electronic excitation of N2. Additional measurements in a 1% H2-N2 mixture demonstrate a further significant reduction of N2(A3ς u +, v = 0, 1) populations, due to the rapid quenching by H atoms accumulating in the plasma. Comparison with the modeling predictions suggests that the N2(A3ς u +) molecules may be initially formed in the highly vibrationally excited states. The reduction of the N2(A3ς u +) number density also diminishes the contribution of the energy pooling process into N2 dissociation, thus reducing the N atom number density. The rate of N atom generation during the burst also decreases, due to its strong coupling to N2(A3ς u +, v) populations. On the other hand, the rate of H atom generation, produced predominantly by the dissociative quenching of the excited electronic states of N2 by H2, remains about the same during the burst, resulting in a nearly linear rise in the H atom number density. Comparison of the kinetic model predictions with the experimental results suggests that the yield of H atoms during the quenching of the excited electronic state of N2 by molecular H2 is significantly less than 100%. The present results quantify the yield of N and H atoms in high-pressure H2-N2 plasmas, which have significant potential for ammonia generation using plasma-assisted catalysis.

We used a micro-fabricated fused silica light guide plate to uniformly illuminate a GaAs photovoltaic array with a fiber-coupled 808 nm laser. Greater than 1 Watt of galvanically-isolated electrical power was generated from this compact edge-illuminated monochromatic photovoltaic module.