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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 541 records · Page 30

Shape-Based Magnetic Domain Wall Drift for an Artificial Spintronic Leaky Integrate-and-Fire Neuron

Spintronic devices based on domain wall (DW) motion through ferromagnetic nanowire tracks have received great interest as components of neuromorphic information processing systems. Prior proposals for spintronic artificial neurons required external stimuli to perform the leaking functionality, one of the three fundamental functions of a leaky integrate-and-fire (LIF) neuron. The use of this external magnetic field or electrical current stimulus results in either a decrease in energy efficiency or an increase in fabrication complexity. Here, we modify the shape of previously demonstrated three-terminal magnetic tunnel junction neurons to perform the leaking operation without any external stimuli. The trapezoidal structure causes a shape-based DW drift, thus intrinsically providing the leaking functionality with no hardware cost. This LIF neuron, thus, promises to advance the development of spintronic neural network crossbar arrays.

42 ENGINEERING↗

A Performance Portable, Fully Implicit Landau Collision Operator with Batched Linear Solvers

Modern accelerators use hierarchical parallel programming models that enable massive multithreading within a processing element (PE), with multiple PEs per device driven by traditional processes. Batching is a technique for exposing PE-level parallelism in algorithms that have traditionally run on MPI processes or multiple threads within a single process. Opportunities for batching arise in, for example, kinetic discretizations of magnetized plasmas where collisions are advanced in velocity space at each spatial point independently. This paper builds on previous work on a high-performance, fully nonlinear, Landau collision operator by batching the linear solver, as well as batching the spatial point problems and adding new support for multiple grids for multiscale, multispecies problems. An anisotropic relaxation verification test that agrees well with previously published results and analytical models is presented. The performance results from NVIDIA A100 and AMD MI250X nodes are presented with hardware utilization analysis for each architecture. Finally, the entire implicit Landau operator time advance is implemented in Kokkos for performance portability, running entirely on the device and is available in the PETSc numerical library.

97 MATHEMATICS AND COMPUTING↗

Multi-Core Microcontroller Hardware In the Loop System for Electric Machine Control

Hardware in the Loop (HIL) is a simulation technique used to reduce the software development cycle and test control systems in a non-destructive environment. This work describes a cost effective HIL simulator on a dual core microcontroller in which one core acts as a controller and the other emulates the system under control. The emulator runs one step per Pulse Width Modulation (PWM) period in real time. To handle the computational burden and prioritize execution of simulation and control tasks, an interrupt-based software architecture with task prioritization has been developed. As a demonstration, the HIL has been implemented on a Texas Instruments TMS320F28379D dual core microcontroller, which emulates a Permanent Magnet Synchronous Machine (PMSM) with resolver feedback. Hardware peripherals are developed and tested concurrently with the control system, providing higher confidence in the software. By using the peripherals in the HIL development, the controller exercises either the HIL emulation or a pin compatible PMSM testbench. To quantify performance and validate the processor based emulator, the HIL results are compared to the preexisting testbench for accuracy benchmarking at no-load and under load for a range of operating points.

33 ADVANCED PROPULSION SYSTEMS↗

High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation

Quantum chemical calculations on atomistic systems have evolved into a standard approach to studying molecular matter. These calculations often involve a significant amount of manual input and expertise, although most of this effort could be automated, which would alleviate the need for expertise in software and hardware accessibility. Here, we present the AutoRXN workflow, an automated workflow for exploratory high-throughput electronic structure calculations of molecular systems, in which (i) density functional theory methods are exploited to deliver minimum and transition-state structures and corresponding energies and properties, (ii) coupled cluster calculations are then launched for optimized structures to provide more accurate energy and property estimates, and (iii) multi-reference diagnostics are evaluated to back check the coupled cluster results and subject them to automated multi-configurational calculations for potential multi-configurational cases. All calculations are carried out in a cloud environment and support massive computational campaigns. Key features of all components of the AutoRXN workflow are autonomy, stability, and minimum operator interference. We highlight the AutoRXN workflow with the example of an autonomous reaction mechanism exploration of the mode of action of a homogeneous catalyst for the asymmetric reduction of ketones.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computational processor-in-memory with enhanced strided memory access

A computational memory for a computer. The memory includes a memory bank having a selected-row buffer and being configured to store records up to a number, K. The memory also includes an accumulator connected to the memory bank, the accumulator configured to store up to K records. The memory also includes an arithmetic and logic unit (ALU) connected to the accumulator and to the selected row buffer of the memory bank, the ALU having an indirect network of 2K ports for reading and writing records in the memory bank and the accumulator, and the ALU further physically configured to operate as a sorting network. The memory also includes a controller connected to the memory bank, the ALU, and the accumulator, the controller being hardware configured to direct operation of the ALU.

DeBenedictis, Erik↗

Design of a Robust Memristive Spiking Neuromorphic System with Unsupervised Learning in Hardware

Spiking neural networks (SNN) offer a power efficient, biologically plausible learning paradigm by encoding information into spikes. The discovery of the memristor has accelerated the progress of spiking neuromorphic systems, as the intrinsic plasticity of the device makes it an ideal candidate to mimic a biological synapse. Despite providing a nanoscale form factor, non-volatility, and low-power operation, memristors suffer from device-level non-idealities, which impact system-level performance. To address these issues, this article presents a memristive crossbar-based neuromorphic system using unsupervised learning with twin-memristor synapses, fully digital pulse width modulated spike-timing-dependent plasticity, and homeostasis neurons. Additionally, the implemented single-layer SNN was applied to a pattern-recognition task of classifying handwritten-digits. The performance of the system was analyzed by varying design parameters such as number of training epochs, neurons, and capacitors. Furthermore, the impact of memristor device non-idealities, such as device-switching mismatch, aging, failure, and process variations, were investigated and the resilience of the proposed system was demonstrated.

97 MATHEMATICS AND COMPUTING↗

Performance optimization, modeling and analysis of sparse matrix-matrix products on multi-core and many-core processors

Sparse matrix-matrix multiplication (SpGEMM) is a computational primitive that is widely used in areas ranging from traditional numerical applications to recent big data analysis and machine learning. Although many SpGEMM algorithms have been proposed, hardware specific optimizations for multi- and many-core processors are lacking and a detailed analysis of their performance under various use cases and matrices is not available. In this work, we firstly identify and mitigate multiple bottlenecks with memory management and thread scheduling on Intel Xeon Phi (Knights Landing or KNL). Specifically targeting many-core processors, we develop a hash-table-based algorithm and optimize a heap-based shared-memory SpGEMM algorithm. We examine their performance together with other publicly available codes. Different from the literature, our evaluation also includes use cases that are representative of real graph algorithms, such as multi-source breadth-first search or triangle counting. Our hash-table and heap-based algorithms are showing significant speedups from libraries in the majority of the cases while different algorithms dominate the other scenarios with different matrix size, sparsity, compression factor and operation type. We wrap up in-depth evaluation results and make a recipe to give the best SpGEMM algorithm for target scenario. We build the performance model for hash-table and heap-based algorithms, which supports the recipe. A critical finding is that hash-table-based SpGEMM gets a significant performance boost if the nonzeros are not required to be sorted within each row of the output matrix. Finally, we integrate our implementations into a large-scale protein clustering code named HipMCL, accelerating its SpGEMM kernel by up to 10X and achieving an overall performance boost for the whole HipMCL application by 2.6X.

97 MATHEMATICS AND COMPUTING↗

Device Access Abstractions for Resilient Information Architecture Platform for Smart Grid

An open application platform distributes the intelligence and control capability to local endpoints (or nodes) reducing total network traffic, improving speed of local actions by avoiding latency, and improving reliability by reducing dependencies on numerous devices and communication interfaces. The platform must be multi-tasking and able to host multiple applications running simultaneously. Given such a system, the core functions of power grid control systems include grid state determination, low level control, fault intelligence and reconfiguration, outage intelligence, power quality measurement, remote asset monitoring, configuration management, power and energy management (including local distributed energy resources, such as wind, solar and energy storage) can be eventually distributed. However, making this move requires extensive regression testing of systems to prove out new technologies, such as phasor measurement units (PMU). Additionally, as the complexity of the systems increase with the inclusion of new functionality (especially at the distribution and consumer levels), hidden coupling issues becomes a challenge with possible N-way interactions known and not known by device and application developers. Therefore, it is very important to provide core abstractions that ensure uniform operational semantics across such interactions. Here in this paper, we describe the pattern for abstracting device interactions we have developed for the RIAPS platform in the context of a microgrid control application we have developed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

In-Network DAQ Functions

A revolution in networking is changing how we compute, but we lack the tools that can channel this new capability to benefit science. It is now possible to write programs that operate "in" the network—on network cards (NICs) and network switches themselves, rather than on servers. These programs can analyze and reduce huge volumes of data as they flow through the network—at higher throughput, lower latency, and lower power consumption than if servers (containing CPUs or GPUs) were used. That equipment offers appealing features for scientific experiments that involve huge quantities of data. This poster describes a prototype LArTPC raw-waveform hit finder based on DUNE’s Trigger Primitives generator. We built this as part of ongoing research to better understand how to put programmable network hardware to use in large scientific experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Parallel processing of filtered queries in attributed semantic graphs

Execution of complex analytic queries on massive semantic graphs is a challenging problem in big-data analytics that requires high-performance parallel computing. In a semantic graph, vertices and edges carry attributes of various types and the analytic queries typically depend on the values of these attributes. Thus, the computation must view the graph through a filter that passes only those individual vertices and edges of interest. Previous investigations have developed Knowledge Discovery Toolbox (KDT), a sophisticated Python library for parallel graph computations. In KDT, the user can write custom graph algorithms by specifying operations between edges and vertices ( semiring operations ). The user can also customize existing graph algorithms by writing filters. While the high-level language for this customization enables domain scientists to productively express their graph analytics requirements, the customized queries perform poorly due to the overhead of having to call into the Python virtual machine for each vertex and edge. In this work, we use the Selective Embedded Just-In-Time Specialization (SEJITS) approach to automatically translate semiring operations and filters defined by programmers into a lower-level efficiency language, bypassing the upcall into Python. We evaluate our approach by comparing it with the high-performance Combinatorial BLAS engine and show that our approach combines the benefits of programming in a high-level language with executing in a low-level parallel environment. We increase the system's flexibility by developing techniques that provide users with the ability to define new vertex and edge types from Python. We also present a new Roofline model for graph traversals and show that we achieve performance that is significantly closer to the bounds suggested by the Roofline. Finally, to further understand the complex interaction with the underlying architecture, we present an analysis using performance counters that quantifies the improvement in hardware behavior in the context our SEJITS methodology. Comprehensively, we demonstrate the first known solution to the problem of obtaining high performance from a productivity language when applying graph algorithms selectively on semantic graphs with hundreds of millions of edges and scaling to thousands of processors for graphs.

97 MATHEMATICS AND COMPUTING↗

Towards a Verifiable Domain-Specific Language for Hardware-Accelerated Stencils

Defining a domain-specific language (DSL) that supports vector-calculus abstractions eases the porting of partial differential equation (PDE) solvers to specialized architectures. Sufficiently high-level abstractions empower users to express universal laws with sufficient generality that the laws must always hold true within their domain of validity. A broad class of PDE solvers employs stencil-based algorithms, the target domain of Berkeley Lab's stencil accelerator chip co-design project. First released as open-source in January 2026, the Formal software framework lays a foundation for defining an embedded DSL based on composable operators that implement mimetic numerical methods -- stencil algorithms that guarantee satisfaction of discrete versions of important vector calculus theorems. The Formal DSL will be the frontend to a new class of stencil-PDE accelerators developed jointly by LBNL, UHCL, and UC Berkeley through the DOE Competitive Portfolios for Computer Science Project. This offers the potential of an order of magnitude acceleration for this important category of computational methods to serve the DOE mission. Future work on the Formal DSL will facilitate software verification via type-safe templates that enable problem-specific correctness proofs relying upon generic function theory and carefully crafted unit tests.

Rouson, Damian↗

A Scalable Quantum Cryptography Network for Protected Automation Communication (Final Report)

This is the final report for a CEDS-funded project aimed at developing a new quantum technology for securing utility communication networks used to control and monitor electrical grid equipment. Securing these control networks represents a unique challenge as the performance of the security solution has a direct impact on the stability and reliability of the electrical grid. Traditional, software-based solutions - developed for information networks - are not suitable for utility control networks because they introduce latency, require burdensome maintenance and upgrades, are often incompatible with legacy equipment, and introduce operational complexity that reduces grid reliability. Consequently, many U.S. utilities do not use existing solutions and, instead, protect their critical control networks through the careful isolation and obscuration of their networked equipment. With more utilities embracing grid automation, the attack surface that utilities must defend from hackers has grown to an unmanageable size. To address this situation, Qubitekk and its partners proposed and developed a hardware-based solution that can secure critical control networks without negatively impacting grid performance. This new solution is based on quantum key distribution (QKD) techniques that guarantee secure key generation and distribution across a utility control network. Through deployment and field testing of a prototype QKD system, we have shown that this solution delivers long-term network security, is technically feasible to implement and maintain on a utility’s distribution substation network and does not negatively impact grid operations. In addition, the project has identified and solved key challenges associated with generating, transmitting, and measuring coherent photonic quantum states on a real-world fiber optic network. These additional findings are playing a critical role in advancing quantum networks for quantum computing applications. An overview of the QKD prototype development effort, field testing activities and results, and additional findings relevant to emerging quantum networks are presented in this report.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Resilience Design Patterns: A Structured Approach to Resilience at Extreme Scale

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest the prevalence of very high fault rates in future systems. While the HPC community has developed various resilience solutions, application-level techniques as well as system-based solutions, the solution space remains fragmented. There are no formal methods and metrics to integrate the various HPC resilience techniques into composite solutions, nor are there methods to holistically evaluate the adequacy and efficacy of such solutions in terms of their protection coverage, and their performance \& power efficiency characteristics. Additionally, few of the current approaches are portable to newer architectures and software environments that will be deployed on future systems. In this paper, we develop a structured approach to the design, evaluation and optimization of HPC resilience using the concept of design patterns. A design pattern is a general repeatable solution to a commonly occurring problem. We identify the problems caused by various types of faults, errors and failures in HPC systems and the techniques used to deal with these events. Each well-known solution that addresses a specific HPC resilience challenge is described in the form of a pattern. We develop a complete catalog of such resilience design patterns, which may be used by system architects, system software and tools developers, application programmers, as well as users and operators as essential building blocks when designing and deploying resilience solutions. We also develop a design framework that enhances a designer's understanding the opportunities for integrating multiple patterns across layers of the system stack and the important constraints during implementation of the individual patterns. It is also useful for defining mechanisms and interfaces to coordinate flexible fault management across hardware and software components. The resilience patterns and the design framework also enable exploration and evaluation of design alternatives and support optimization of the cost-benefit trade-offs among performance, protection coverage, and power consumption of resilience solutions. Here, the overall goal of this work is to establish a systematic methodology for the design and evaluation of resilience technologies in extreme-scale HPC systems that keep scientific applications running to a correct solution in a timely and cost-efficient manner despite frequent faults, errors, and failures of various types.

97 MATHEMATICS AND COMPUTING↗

Reliable High Performance Peta- and Exa-Scale Computing

As supercomputers become larger and more powerful, they are growing increasingly complex. This is reflected both in the exponentially increasing numbers of components in HPC systems (LLNL is currently installing the 1.6 million core Sequoia system) as well as the wide variety of software and hardware components that a typical system includes. At this scale it becomes infeasible to make each component sufficiently reliable to prevent regular faults somewhere in the system or to account for all possible cross-component interactions. The resulting faults and instability cause HPC applications to crash, perform sub-optimally or even produce erroneous results. As supercomputers continue to approach Exascale performance and full system reliability becomes prohibitively expensive, we will require novel techniques to bridge the gap between the lower reliability provided by hardware systems and users unchanging need for consistent performance and reliable results. Previous research on HPC system reliability has developed various techniques for tolerating and detecting various types of faults. However, these techniques have seen very limited real applicability because of our poor understanding of how real systems are affected by complex faults such as soft fault-induced bit flips or performance degradations. Prior work on such techniques has had very limited practical utility because it has generally focused on analyzing the behavior of entire software/hardware systems both during normal operation and in the face of faults. Because such behaviors are extremely complex, such studies have only produced coarse behavioral models of limited sets of software/hardware system stacks. Since this provides little insight into the many different system stacks and applications used in practice, this work has had little real-world impact. My project addresses this problem by developing a modular methodology to analyze the behavior of applications and systems during both normal and faulty operation. By synthesizing models of individual components into a whole-system behavior models my work is making it possible to automatically understand the behavior of arbitrary real-world systems to enable them to tolerate a wide range of system faults. My project is following a multi-pronged research strategy. Section II discusses my work on modeling the behavior of existing applications and systems. Section II.A discusses resilience in the face of soft faults and Section II.B looks at techniques to tolerate performance faults. Finally Section III presents an alternative approach that studies how a system should be designed from the ground up to make resilience natural and easy.

97 MATHEMATICS AND COMPUTING↗

A Statistical Testing Approach for Quantifying Software Reliability; Application to an Example System

The U.S. Nuclear Regulatory Commission (NRC) encourages the use of probabilistic risk assessment (PRA) technology in all regulatory matters, to the extent supported by the state-of-the-art in PRA methods and data. Although much has been accomplished in the area of risk-informed regulation, risk assessment for digital systems has not been fully developed. The NRC established a plan for research on digital systems to identify and develop methods, analytical tools, and regulatory guidance for (1) including models of digital systems in the PRAs of nuclear power plants (NPPs), and (2) incorporating digital systems in the NRC's risk-informed licensing and oversight activities. Under NRC's sponsorship, Brookhaven National Laboratory (BNL) explored approaches for addressing the failures of digital instrumentation and control (I and C) systems in the current NPP PRA framework. Specific areas investigated included PRA modeling digital hardware, development of a philosophical basis for defining software failure, and identification of desirable attributes of quantitative software reliability methods. Based on the earlier research, statistical testing is considered a promising method for quantifying software reliability. This paper describes a statistical software testing approach for quantifying software reliability and applies it to the loop-operating control system (LOCS) of an experimental loop of the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Using MLIR Framework for Codesign of ML Architectures Algorithms and Simulation Tools

MLIR (Multi-Level Intermediate Representation), is an extensible compiler framework that supports high-level data structures and operation constructs. These higher-level code representations are particularly applicable to the artificial intelligence and machine learning (AI/ML) domain, allowing developers to more easily support upcoming heterogeneous AI/ML accelerators and develop flexible domain specific compilers/frameworks with higher-level intermediate representations (IRs) and advanced compiler optimizations. The result of using MLIR within the LLVM compiler framework is expected to yield significant improvement in the quality of generated machine code, which in turn will result in improved performance and hardware efficiency

97 MATHEMATICS AND COMPUTING↗

A Real-Time Implementation and Validation of Federated Learning for Grid Services

Grid-edge devices are becoming increasingly important in the energy transition. Preserving privacy was not previously considered an important aspect for power grid operations, but with the increased proliferation of customer-owned assets, it is now an essential consideration. Several mechanisms have been proposed to provide privacy for non-utility owned assets in the power grid. Federated learning (FL) is one method gaining prominence in this area. Although FL has been used for other applications, such as auto-complete in phones, there has not been much investigation into whether these approaches are feasible for grid applications. In this work, we use a research platform with real-time simulators and hardware-in-the-loop capabilities to investigate how FL can be applied to grid-edge devices, and we present the potential grid services that can be derived for these devices. We discuss the computational challenges with deploying complex FL approaches, and we explore several grid services, including participation in retail electricity markets, voltage control, and resilience-driven reconfiguration.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Volumetric Additive Manufacturing of Polymer Structures by Holographically Projected Light Fields

As additive manufacturing technologies proliferate and mature, overcoming some of their process limitations becomes increasingly important for the continued expansion of practical applications. Two such limitations that arise from layer-based fabrication are slow speed and geometric constraints (which include poor surface quality and challenges fabricating span, cantilever, and overhang elements). Moving beyond point-by-point and layer-by-layer approaches, the ability to generate a complex 3D volume as a unit operation has the potential to overcome these limitations. Since holography has been extensively studied as a means for storage and retrieval of 3D geometrical information, this dissertation explores the use of holographically-shaped light fields for producing three-dimensional structures in a “volume at once” approach. Leveraging advances in spatial light modulator (SLM) technology, phase-controlled light fields are projected into photopolymer resin to cure a desired geometry. By overlapping multiple sub-regions of a single light field within the target volume, the successful fabrication of non-periodic complex 3D geometries is demonstrated by single exposures on timescales of seconds. This dissertation presents a complete prototype platform that makes this approach possible, comprising a suitable hardware configuration along with the computational algorithms necessary to calculate and optimize the required optical fields. A study of the photopolymerization kinetics is also carried out, to determine the boundaries of usable process parameters such as resin absorbance and available light intensity. The results indicate that low-absorbing resins containing ~0.1% photoinitiator, illuminated at modest powers (~10-100 mW) may be used to produce full 3D structures from 1-10 second exposures, with volume build rates exceeding 100 cm3/hr, without layering and with no need for a substrate or support material.

36 MATERIALS SCIENCE↗