Publications

This chapter focuses on explosives-based threats, the challenges they present, and various means by which these challenges can be overcome. It begins with an introduction to explosive threats, detailing statistics regarding their use, and some overarching challenges associated with properly mitigating the risks they present, before delving deeper into different areas of response by government agencies. These response areas are broadly categorized as deter, prevent, detect, delay/ protect, and respond/analyze. Deterrence refers to trying to discourage people from becoming malefactors, with a focus on anti-radicalization programs and ways by which people can be dissuaded to join extremist movements. The section on prevention discusses means by which access to explosive precursor materials and information can be controlled, with a focus on polices and regulations. This includes examples of current regulations, discussion of why specific chemicals are on controlled chemicals lists, and information campaigns to raise awareness of IED threats. The following section gives a brief understanding of the important aspects to consider in detection and describes different explosives detection methods used. Approaches to delaying the use or impact of an explosive threat, as well as those that provide some sort of protection against the effects of an explosive threat, are then described. Lastly, current approaches to response to explosive threats, either before or after detonation, and the importance of analysis, are discussed before summarizing the chapter and providing a near-future outlook.

Density fluctuations in compressible turbulent boundary layers cause aero-optical distortions that affect the performance of optical systems such as sensors and lasers. The development of models for predicting the aero-optical distortions relies on theory and reference data that can be obtained from experiments and time-resolved simulations. This paper reports on wall-modeled large-eddy simulations of turbulent boundary layers over a flat plate at Mach 3.5, 7.87, and 13.64. The conditions for the Mach 3.5 case match those for the DNS presented by Miller et al.1 The Mach 7.87 simulation match those inside the Hypersonic Wind Tunnel at Sandia National Laboratories. For the Mach 13.64, the conditions inside the Arnold Engineering Development Complex Hypervelocity Tunnel 9 are matched. Overall, adequate agreement of the velocity and temperature as well as Reynolds stress profiles with reference data from direct numerical simulations is obtained for the different Mach numbers. For all three cases, the normalized root-mean-square optical path difference was computed and compared with data obtained from the reference direct numerical simulations and experiments, as well as predictions obtained with a semi-analytical relationship by Notre Dame University. Above Mach five, the normalized path difference obtained from the simulations is above the model prediction. This provides motivation for future work aimed at evaluating the assumptions behind the Notre Dame model for hypersonic boundary layer flows.

Abstract not provided.

The application of traveling wave principles for fault detection in distribution systems is challenging because of multiple reflections from the laterals and other lumped elements, particularly when we consider communication-free applications. We propose and explore the use of Shapelets to characterize fault signatures and a data-driven machine learning model to accurately classify the faults based on their distance. Studies of a simple 5-bus system suggest that the use of Shapelets for detecting faults is promising. The application to practical three-phase distribution feeders is the subject of continuing research.

This paper applies sensitivity and uncertainty analysis to compare two model alternatives for fuel matrix degradation for performance assessment of a generic crystalline repository. The results show that this model choice has little effect on uncertainty in the peak ¹²⁹I concentration. The small impact of this choice is likely due to the higher importance of uncertainty in the instantaneous release fraction and differences in epistemic uncertainty between the alternatives.

Abstract not provided.

Firmware emulation is useful for finding vulnerabil-ities, performing debugging, and testing functionalities. However, the process of enabling firmware to execute in an emulator (i.e., re-hosting) is difficult. Each piece of the firmware may depend on hardware peripherals outside the microcontroller that are inaccessible during emulation. Current practices involve painstakingly disentangling these dependencies or replacing them with developed models that emulate functions interacting with hardware. Unfortunately, both are highly manual and error-prone. In this paper, we introduce a systematic graph-based approach to analyze firmware binaries and determine which functions need to be replaced. Our approach is customizable to balance the fidelity of the emulation and the amount of effort it would take to achieve the emulation by modeling functions. We run our algorithm across a number of firmware binaries and show its ability to capture and remove a large majority of hardware dependencies.

Abstract not provided.

The Explosive Destruction System (EDS), which was developed at Sandia National Laboratories, is a portable system used by the US Army to destroy recovered chemical munitions on site. The latest containment vessel is larger, much heavier and is expected to contain an explosive load over twice that of previous versions. The explosive rating for the vessel, based on the BPVC, is 24 pounds TNT for up to 1,131 detonations. The EDS vessel consists of a stainless steel, thick wall cylindrical body with large flat doors on each end which contains the explosive detonation and the subsequent chemical treatment of the chemical agent. The vessel is sealed with a metal seal gasket located between each door and the cylinder. A three-part clamping system is used to secure each door to the cylinder at each end. One of the design challenges for the EDS vessel is to ensure that the doors do not leak when the shock loads from the potentially very significant explosive loads impact the door. Previous versions of EDS vessels have experienced measurable transient displacement between the door and the vessel flanges that challenged the metal seal gasket to maintain a seal. To address the opening of the gap between the flanges during blast loadings, the door clamping system has been modified for this latest design referred to as P3. Only minor changes to the design were required and none to the operating procedure. Computer modeling of the new design predicts a significant reduction in the separation of the flanges when compared to a previous EDS vessels of similar design.

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.

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.

Abstract not provided.

Neural networks (NN) have become almost ubiquitous with image classification, but in their standard form produce point estimates, with no measure of confidence. Bayesian neural networks (BNN) provide uncertainty quantification (UQ) for NN predictions and estimates through the posterior distribution. As NN are applied in more high-consequence applications, UQ is becoming a requirement. Automating systems can save time and money, but only if the operator can trust what the system outputs. BNN provide a solution to this problem by not only giving accurate predictions and estimates, but also an interval that includes reasonable values within a desired probability. Despite their positive attributes, BNN are notoriously difficult and time consuming to train. Traditional Bayesian methods use Markov Chain Monte Carlo (MCMC), but this is often brushed aside as being too slow. The most common method is variational inference (VI) due to its fast computation, but there are multiple concerns with its efficacy. MCMC is the gold standard and given enough time, will produce the correct result. VI, alternatively, is an approximation that converges asymptotically. Unfortunately (or fortunately), high consequence problems often do not live in the land of asymtopia so solutions like MCMC are preferable to approximations. We apply and compare MCMC-and VI-trained BNN in the context of target detection in hyperspectral imagery (HSI), where materials of interest can be identified by their unique spectral signature. This is a challenging field, due to the numerous permuting effects practical collection of HSI has on measured spectra. Both models are trained using out-of-the-box tools on a high fidelity HSI target detection scene. Both MCMC-and VI-trained BNN perform well overall at target detection on a simulated HSI scene. Splitting the test set predictions into two classes, high confidence and low confidence predictions, presents a path to automation. For the MCMC-trained BNN, the high confidence predictions have a 0.95 probability of detection with a false alarm rate of 0.05 when considering pixels with target abundance of 0.2. VI-trained BNN have a 0.25 probability of detection for the same, but its performance on high confidence sets matched MCMC for abundances >0.4. However, the VI-trained BNN on this scene required significant expert tuning to get these results while MCMC worked immediately. On neither scene was MCMC prohibitively time consuming, as is often assumed, but the networks we used were relatively small. This paper provides an example of how to utilize the benefits of UQ, but also to increase awareness that different training methods can give different results for the same model. If sufficient computational resources are available, the best approach rather than the fastest or most efficient should be used, especially for high consequence problems.

This paper applies sensitivity and uncertainty analysis to compare two model alternatives for fuel matrix degradation for performance assessment of a generic crystalline repository. The results show that this model choice has little effect on uncertainty in the peak 129I concentration. The small impact of this choice is likely due to the higher importance of uncertainty in the instantaneous release fraction and differences in epistemic uncertainty between the alternatives.

We develop methods that could be used to qualify a training dataset and a data-driven turbulence closure trained on it. By qualify, we mean identify the kind of turbulent physics that could be simulated by the data-driven closure. We limit ourselves to closures for the Reynolds-Averaged Navier Stokes (RANS) equations. We build on our previous work on assembling feature-spaces, clustering and characterizing Direct Numerical Simulation datasets that are typically pooled to constitute training datasets. In this paper, we develop an alternative way to assemble feature-spaces and thus check the correctness and completeness of our previous method. We then use the characterization of our training dataset to identify if a data-driven turbulence closure learned on it would generalize to an unseen flow configuration – an impinging jet in our case. Finally, we train a RANS closure architected as a neural network, and develop an explanation i.e., an interpretable approximation, using generalized linear mixed-effects models and check whether the explanation resembles a contemporary closure from turbulence modeling.

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.

OpenMP 5.0 added support for reductions over explicit tasks. This expands the previous reduction support that was limited primarily to worksharing and parallel constructs. While the scope of a reduction operation in a worksharing construct is the scope of the construct itself, the scope of a task reduction can vary. This difference requires syntactical means to define the scope of reductions, e.g., the task_reduction clause, and to associate participating tasks, e.g., the in_reduction clause. Furthermore, the disassociation of the number of threads and the number of tasks creates space for different implementations in the OpenMP runtime. In this work, we provide insights into the behavior and performance of task reduction implementations in GCC/g++ and LLVM/Clang. Our results indicate that task reductions are well supported by both compilers, but their performance differs in some cases and is often determined by the efficiency of the underlying task management.

Investigations of mechanical shear driven organic film formation, or tribofilms, on catalytic metal surfaces in sliding electrical contacts date back to Hermance and Egan's seminal work on mated palladium contacts. In this report we describe investigations of tribofilm formation from outgassing epoxy vapors, consisting of multiple siloxane species, and from isolated constituent species including octamethyltrisiloxane (OMTS). Experiments performed in varying vapor concentrations of OMTS resulted in the formation of tribopolymer films with similar morphology and impact on electrical contact resistance (ECR) as previously published results of sliding electrical contacts in similar conditions submerged in higher molecular weight polymethyldisiloxane (PDMS) fluid. Infrared (IR) spectroscopy was used to confirm the characteristic signatures of siloxanes and silanes in tribopolymer deposits found in wear scars formed in OMTS. Comparisons to prior studies also showed that the films formed from outgassing epoxy vapor constituents (including OMTS and a multitude of other species) have similar characteristics to the silicon-carbon-oxygen (Si-C-O) films previously found to form in high molecular weight PDMS fluid-filled devices. Tribopolymer formation was demonstrated for a range of electrical contact alloy mated pairs (Paliney-7, Neyoro-G, NiPtRe). Experiments in increasing concentrations of OMTS vapor showed that a persistent tribofilm is rapidly formed under cyclic sliding contact shear that can interrupt electrical current, with a formation rate that increases with increasing concentration. Overall, this work demonstrates the ease with which trace organics can promote the formation of insulating tribopolymer films in electrical contacts and factors that can influence their growth.

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.

Plasma-based thermionic energy converters (TECs) feature non-equilibrium processes that are best modeled using fully kinetic simulations, and pose challenges in terms of length scales, time scales, and complex particle interactions. We present simulations of TECs using two particle-in-cell software packages which use modern high-performance computing to meet the simulation challenges. Using WarpX, we demonstrate the simulation of a triode plasma TEC. Using Aleph, we present simulations of an ignited cesium plasma TEC, including a large set of multi-step ionization processes. The Cs plasma simulations also demonstrate shortcomings of approximate models used historically.

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.

Dynamic state and parameter estimation in current and future power systems are critical for advanced monitoring, control, and protection. There are numerous methods to perform dynamic state and parameter estimation; this paper compares the accuracy and computational time of four methods (i.e., Kalman filter (KF), extended Kalman filter (EKF), unscented Kalman filter (UKF), and moving horizon estimation (MHE)) designed to estimate the states and parameters for frequency dynamics of a power system. A simulation study was conducted using Matlab/Simulink by introducing Gaussian and non-Gaussian noise in the measurements. Results under Gaussian noise showed similar accuracy performance for all filters. EKF and UKF presented convergence or numerical instability issues due to incorrect initial guesses of parameters. MHE did not present convergence issues, however, required comparatively higher computation time. Nonetheless, the MHE could still be implemented in real-time for state and parameter estimation of power system. The impact of non-Gaussian noise on the methods was inconclusive and will require further study.

Long running applications often have varying behaviors, here called phases. While considerable work in computer architecture has been done in identifying application phases based on how the hardware is being exercised, comparatively less work has been focused on identifying application phases based on regions of source code being executed. In this paper we introduce a new methodology and an efficient tool framework, IncProf, for observing and capturing the time-varying source execution behavior of applications, and for then deducing application phases from the resulting data. Uses of this capability include simply better understanding the varying behavior of long running applications, and for efficiently tracking deployed application performance in the future by providing information to identify good instrumentation points.

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 latest high temperature (HT) microcontrollers and memory technology have been investigated for the purpose of enhancing downhole instrumentation capabilities at temperatures above 210°C. As part of the effort, five microcontrollers (Honeywell HT83C51, RelChip RC10001, Texas Instruments SM470R1B1M-HT, SM320F2812-HT, SM320F28335-HT) and one memory chip (RelChip RC2110836) have been evaluated to its rated temperature for a period of one month to determine life expectancy and performance. Pulse rate of the integrated circuit and internal memory scan were performed during testing by remotely located axillary components. This paper will describe challenges encountered in the operation and HT testing of these components. Long-term HT tests results show the variation in power consumption and packaging degradation. The work described in this paper improves downhole instrumentation by enabling greater sensor counts and improving data accuracy and transfer rates at temperatures between 210°C and 300°C.