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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 181 records · Page 10

Coherent diffraction imaging in the undergraduate laboratory

We present an undergraduate optics instructional laboratory designed to teach skills relevant to a broad range of modern scientific and technical careers. In this laboratory project, students image a custom aperture using coherent diffraction imaging, while learning principles and skills related to digital image processing and computational imaging, including multidimensional Fourier analysis, iterative phase retrieval, noise reduction, finite dynamic range, and sampling considerations. After briefly reviewing these imaging principles, we describe the required experimental materials and setup for this project. Our experimental apparatus is both inexpensive and portable, and a software application we developed for interactive data analysis is freely available.

Porter, J. Nicholas↗

Fine-Grained Application Energy and Power Measurements on the Frontier Exascale System

The increasing complexity and power/energy demands of heterogeneous exascale systems, such as the Frontier supercomputer, present significant challenges for measuring and optimizing power consumption in applications. Current tools either lack the resolution to capture fine-grained power and energy measurements, fail to validate in-band measurements against out-of-band power sensors, or cannot integrate this information with application performance events in a scalable manner. This paper introduces a novel open-source performance toolkit that integrates extended PAPI components with Score-P plugins to enable in-band, fine-grained power and energy measurements, while also supporting validation using power meter measurements for both CPUs and GPUs. One key contribution is the ability to perform millisecond-level power and energy measurements for AMD MI250X GPUs, mapping them to application performance events within a single trace and measurement system that scales. Our toolkit combines coarse-grained measurements from cray_pm counters with high-resolution metrics from rocm_smi and RAPL, converting GPU instantaneous accumulated energy into power to capture both transient and steady-state power behavior, a capability often missed by out-of-band and monitoring tools. By mapping these metrics to specific application regions, developers can identify energy hotspots, address inefficiencies in GPU kernel execution, and validate in-band measurements against external measurements. We demonstrate the effectiveness of this approach through case studies using benchmarks such as GPU rocblas_sgemm, BLIS c_blas_dgemm, and rocHPL, highlighting the variability of the measurements and the impact of transient power spikes on kernel-level efficiency.

Hernandez Mendoza, Oscar [ORNL] (ORCID:00000002538↗

wa-hls4ml: A Benchmark and Surrogate Models for hls4ml Resource and Latency Estimation

As machine learning (ML) is increasingly implemented in hardware to address real-time challenges in scientific applications, the development of advanced toolchains has significantly reduced the time required to iterate on various designs. These advancements have solved major obstacles, but also exposed new challenges. For example, processes that were not previously considered bottlenecks, such as hardware synthesis, are becoming limiting factors in the rapid iteration of designs. To mitigate these emerging constraints, multiple efforts have been undertaken to develop an ML-based surrogate model that estimates resource usage of ML accelerator architectures. We introduce wa-hls4ml, a benchmark for ML accelerator resource and latency estimation, and its corresponding initial dataset of over 680,000 fully connected and convolutional neural networks, all synthesized using hls4ml and targeting Xilinx FPGAs. The benchmark evaluates the performance of resource and latency predictors against several common ML model architectures, primarily originating from scientific domains, as exemplar models, and the average performance across a subset of the dataset. Additionally, we introduce GNN- and transformer-based surrogate models that predict latency and resources for ML accelerators. We present the architecture and performance of the models and find that the models generally predict latency and resources for the 75% percentile within several percent of the synthesized resources on the synthetic test dataset.

Hawks, Benjamin [Fermilab] (ORCID:0000000157000288↗

Differentially Private Map Matching (DPMM) v1.0

Human mobility trajectories provide valuable information for developing mobility applications, as they contain diverse and rich information about the users. User mobility data is valuable for various applications such as intelligent transportation systems (ITS), commercial business models, and disease-spread models. However, such spatio-temporal traces may pose a threat to user privacy. GPS trajectories in their raw form are not suitable for transportation studies, as they require matching locations with nearest road links — a process called map-matching. This software implements a differential privacy (DP)-based map-matching algorithm, called DPMM, that generates link-level location trajectories in a privacy-preserving manner to protect users' origin destinations (OD) and travel paths. OD privacy is achieved by injecting Planar Laplace noise to the user OD GPS points. Travel-path privacy is provided with randomized travel path construction using exponential DP mechanism. The injected noise level is selected adaptively, by considering the link density of the location and the functional category of the localized links. For path privacy, our mechanism samples waypoints and selects candidate paths between waypoints. DPMM provides privacy effectively with respect to link density instead of other trajectory samples in the database compared to other privacy mechanisms. Compared to the different baseline models our DP-based privacy model offers closer query responses to the raw data in terms of individual and aggregate trajectory-level statistics with an average at absolute deviation from the baseline for individual statistics on ϵ = 1.0. Beyond individual trajectory statistics, the DPMM outperforms the other benchmark DP-based mechanisms on different aggregate statistics with up to 8x improvement in utility.

Peisert, Sean [Lawrence Berkeley National Laborato↗

Sparow-Examples

SAND2026-16701O SPAROW-Examples software provides a repository of stochastic programming examples designed to demonstrate Sandia's SPAROW optimization library. This resource helps users learn to develop complex applications with SPAROW by offering reference implementations that can be used to test and enhance new optimization solvers. The library offers a diverse range of simple and complex exemplars, including those related to power grid applications such as unit commitment and expansion planning. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hart, William [Sandia National Lab. (SNL-CA), Live↗

Physics of wurtzite ferroelectrics

Ferroelectricity was long considered incompatible with the wurtzite structure, but the recent discovery of switchable polarization in wurtzite alloys has renewed interest in these materials for integrated electronic and memory applications. The development of wurtzite ferroelectrics faces significant technological challenges, which can be addressed through a fundamental physical understanding of their dielectric and ferroelectric properties. This article focuses on the physics that govern the polarization switching behavior, emphasizing the atomic- and meso-scale (domain) mechanisms involved in the transition between polarization states. A distinguishing feature of this article is a deep dive into the role of intrinsic and extrinsic defects—an area that has received limited attention in prior reviews, but is increasingly recognized as central to polarization switching, coercive fields, leakage, and fatigue. We highlight how defect behavior evolves during processing and electrical cycling, often contributing to long-term degradation. We also introduce powerful first-principles defect calculations, common in semiconductors but not yet widespread in ferroelectrics, as tools to understand and design materials. By integrating recent theoretical and experimental insights, we aim to provide a framework for advancing wurtzite ferroelectrics.

36 MATERIALS SCIENCE↗

High throughput, accurate gene annotation through AI and HPC-enabled structural analysis

With the advances in next generation sequencing technologies, the number of sequenced genomes is growing exponentially, resulting in a technology bottleneck for the translation of sequence information into usable hypotheses about the function of each gene. We have proposed leveraging our leadership high-performance computing (HPC) resources to help break this annotation bottleneck. Here we design an HPC-based framework to infer gene function from gene sequence by incorporating information about protein structure and interactions predicted by deep learning approaches. Accurate functional prediction and gene annotation using computational methods will facilitate breakthroughs in the genomic sciences essential to understanding and harnessing life processes in bacteria, fungi and plants. The development and applications of the state-of-the-art deep neural networks to protein structural modeling, interaction prediction, sequence comparison, and quality assessment of protein structural models will be made possible by leadership computational resources. These HPC-enabled bioinformatics and molecular modeling tools will provide powerful insights into molecular functions of genes.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of Rig Parameter Data Using Drilling Process Modeling Constraints, Volume 5: Utah FORGE Well 16B(78)-32

Drill rig parameter measurements are routinely used during deep well construction to monitor and guide drilling conditions for improved performance and reduced costs. While insightful into the drilling process, these measurements are of reduced value without a standard to aid in data evaluation and decision making. In the main body of this work (Volume 1), a method is demonstrated whereby rock reduction model constraints are used to interpret drilling response parameters; the method could be applied in real-time to improve decision-making in the field and to further discern technology performance during post-drilling evaluations. Drilling parameters are evaluated using laboratory-validated rock reduction models for predicting the phenomenological response of drag bits (Detournay and Defourny, 1992) in computational algorithms. The method presented has applicability to development of advanced analytics on future geothermal wells using real-time electronic data recording for improved performance and reduced drilling costs. A drilling cost model is also used to show the tradeoff between rate of penetration and bit life and the influence on interval drilling costs. Details of the bit specifications and performance are cataloged in an independent volume, documented under separate cover, for each of the four wells, and include Volume 2: Utah FORGE 16A(78)-32; Volume 3: Utah FORGE 56-32; Volume 4: Utah FORGE 78B-32 and Volume 5: Utah FORGE 16B(78)-32.

15 GEOTHERMAL ENERGY↗

Analysis of Rig Parameter Data Using Drilling Process Modeling Constraints, Volume 4: Utah FORGE Well 78B-32

Drill rig parameter measurements are routinely used during deep well construction to monitor and guide drilling conditions for improved performance and reduced costs. While insightful into the drilling process, these measurements are of reduced value without a standard to aid in data evaluation and decision making. In the main body of this work (Volume 1), a method is demonstrated whereby rock reduction model constraints are used to interpret drilling response parameters; the method could be applied in real-time to improve decision-making in the field and to further discern technology performance during post-drilling evaluations. Drilling parameters are evaluated using laboratory-validated rock reduction models for predicting the phenomenological response of drag bits (Detournay and Defourny, 1992) in computational algorithms. The method presented has applicability to development of advanced analytics on future geothermal wells using real-time electronic data recording for improved performance and reduced drilling costs. A drilling cost model is also used to show the tradeoff between rate of penetration and bit life and the influence on interval drilling costs. Details of the bit specifications and performance are cataloged in an independent volume, documented under separate cover, for each of the four wells, and include Volume 2: Utah FORGE 16A(78)-32; Volume 3: Utah FORGE 56-32; Volume 4: Utah FORGE 78B-32 and Volume 5: Utah FORGE 16B(78)-32.

15 GEOTHERMAL ENERGY↗

Analysis of Rig Parameter Data Using Drilling Process Modeling Constraints, Volume 3: Utah FORGE Well 56-32

Drill rig parameter measurements are routinely used during deep well construction to monitor and guide drilling conditions for improved performance and reduced costs. While insightful into the drilling process, these measurements are of reduced value without a standard to aid in data evaluation and decision making. In the main body of this work (Volume 1), a method is demonstrated whereby rock reduction model constraints are used to interpret drilling response parameters; the method could be applied in real-time to improve decision-making in the field and to further discern technology performance during post-drilling evaluations. Drilling parameters are evaluated using laboratory-validated rock reduction models for predicting the phenomenological response of drag bits (Detournay and Defourny, 1992) in computational algorithms. The method presented has applicability to development of advanced analytics on future geothermal wells using real-time electronic data recording for improved performance and reduced drilling costs. A drilling cost model is also used to show the tradeoff between rate of penetration and bit life and the influence on interval drilling costs. Details of the bit specifications and performance are cataloged in an independent volume, documented under separate cover, for each of the four wells, and include Volume 2: Utah FORGE 16A(78)-32; Volume 3: Utah FORGE 56-32; Volume 4: Utah FORGE 78B-32 and Volume 5: Utah FORGE 16B(78)-32.

15 GEOTHERMAL ENERGY↗

Analysis of Rig Parameter Data Using Drilling Process Modeling Constraints, Volume 1: Summary of Utah FORGE Wells 16A(78)-32, 56-32, 78B-32 and 16B(78)-32

Drill rig parameter measurements are routinely used during deep well construction to monitor and guide drilling conditions for improved performance and reduced costs. While insightful into the drilling process, these measurements are of reduced value without a standard to aid in data evaluation and decision making. In the main body of this work (Volume 1), a method is demonstrated whereby rock reduction model constraints are used to interpret drilling response parameters; the method could be applied in real-time to improve decision-making in the field and to further discern technology performance during post-drilling evaluations. Drilling parameters are evaluated using laboratory-validated rock reduction models for predicting the phenomenological response of drag bits (Detournay and Defourny, 1992) in computational algorithms. The method presented has applicability to development of advanced analytics on future geothermal wells using real-time electronic data recording for improved performance and reduced drilling costs. A drilling cost model is also used to show the tradeoff between rate of penetration and bit life and the influence on interval drilling costs. Details of the bit specifications and performance are cataloged in an independent volume, documented under separate cover, for each of the four wells, and include Volume 2: Utah FORGE 16A(78)-32; Volume 3: Utah FORGE 56-32; Volume 4: Utah FORGE 78B-32 and Volume 5: Utah FORGE 16B(78)-32.

15 GEOTHERMAL ENERGY↗

Improved Fuel Cycle Capability of Griffin for Fast Reactor Applications

Griffin is a MOOSE based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory under the Department of Energy Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation Program. This fiscal year, the fuel cycle capability has been significantly extended by improving the assembly shuffling option to allow flexible fuel reloading in the multi-cycle depletion calculation and incorporating decay between cycles. An equilibrium core calculation capability was also implemented to find an equilibrium core. Additionally, an enrichment search capability was added to determine the enrichment condition that allows a core to reach an equilibrium cycle with the end-of-cycle k-effective meeting a user-specified target value. The updated fuel management capability has been extensively tested using the three-dimensional ABTR problem with different batch schemes, exhibiting reasonable solutions in terms of manual shuffling, equilibrium cycle, and enrichment search calculations. The cross section generation workflow capability for fast reactors was further verified to produce microscopic cross sections as well as Griffin core inputs for an ring-heterogeneous configuration. Rigorous verification tests using the ABTR problem demonstrated that the RH core calculations, with cross sections and Griffin inputs generated from the cross section workflow of Griffin, produced accurate solution for fast reactor problems. In addition, an option to convert delay neutron parameter data generated from MC 2 -3 in the DLAYXS format into XML format was added to support transient calculations using MC 2 -3-generated data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

New Tools for Strongly Coupled Quantum Field Theories

This project involves the study of Quantum field theory (QFT), especially strongly coupled QFTs that are not amenable to conventional perturbative techniques. The unifying goal of the project is the development and application of new tools for analyzing strongly coupled QFTs. These tools are ultimately based on different notions of global symmetries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Ultra-High-Speed X-ray Tomography: Bridging the Gaps to See the Unknown

Rapid, time-varying, three-dimensional physics underpin numerous engineering challenges. Often, these physics occur within opaque environments, internal to a component, severely limiting applicable diagnostics. Development of novel diagnostics is necessary to understand and predict transient three-dimensional (3D) phenomena within opaque environments. This report highlights progress in four key areas leading to advancements in high-speed X-ray radiography and tomography. The first area is enabling MHz-rate imaging of energetics at the Advanced Photon Source at Argonne National Laboratory. The second is modeling a high-flux, rotating-anode X-ray source to understand the heat loads on the anode. The third effort was to develop a novel reconstruction algorithm that is validated by ground experimental tomography data and synthetic tomography data. The fourth is the development of a novel approach to two-color X-ray imaging.

42 ENGINEERING↗

Cybersecurity for Energy Delivery Systems

The Cyber Resilient Energy Delivery Consortium (CREDC) started operations on October 1, 2015. The original period of performance ended September 30, 2020. During this span, CREDC developed projects with significant and measurable sector impact, achieved by involving industry partners (asset owners, equipment vendors, and technology providers) early and often, from helping us to identify critical sector needs, to performing pilot deployment and technology adoption. The central project goal was to create a research and development ecosystem where research results lead directly to development of applications and methodologies which are then validated in realistic contexts.

24 POWER TRANSMISSION AND DISTRIBUTION↗

RANGERS: Methodology for Design and Performance Assessment of Engineered Barrier Systems in a Salt Repository for HLW/SNF: Synthesis Report

Salt formations have long been recognized as a highly favorable host rock for the final disposal of high-level radioactive waste (HLW) in deep geological repositories. Their unique properties, including exceptional impermeability, self-healing capabilities, and thermal conductivity, make them a reliable natural barrier for the deep disposal of radioactive waste. This report focuses on the development and application of a methodology for assessing the integrity and per formance of the Engineered Barrier System (EBS) within salt-based repositories, a critical component of the multi-barrier system ensuring safe radioactive waste disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

wa-hls4ml and lui-gnn: A benchmark and GNN-based surrogate model for hls4ml resource and latency estimation

As machine learning (ML) increasingly serves as a tool for addressing real-time challenges in scientific applications, the development of advanced tooling has significantly reduced the time required to iterate on various designs. These advancements have solved major obstacles, but also exposed new challenges. For example, processes that were not previously considered bottlenecks, such as model synthesis, are now becoming limiting factors in the rapid iteration of designs. To reduce these emerging constraints, multiple efforts are being launched toward designing an ML-based surrogate model that estimates resource usage of synthesized accelerator architectures. This model would reduce the design iteration time, especially when designing within a set of given hardware constraints. This approach shows considerable potential, but as it stands, the effort is early and would benefit from coordination and standardization to assist future work as it emerges. We introduce wa-hls4ml, a benchmark for ML accelerator resource and latency estimation, and its corresponding initial dataset of more than 100,000 fully connected neural networks, all synthesized using hls4ml and targeting Xilinx FPGAs. In addition to the resource utilization and latency data provided, the dataset includes generated artifacts and log files for many of the synthesized neural networks, in order to support future research in ML-based code generation. The benchmark evaluates the performance of resource and latency predictors against several common ML model architectures, primarily originating from scientific domains, as exemplar models, as well as the average performance across a subset of the dataset. We measure the performance of a given predictor model through multiple metrics, including $R^2$ score and SMAPE on regression tasks, as well as inference time to further characterize the estimator under test. Additionally, we introduce the latency/utilization inference graph neural network (lui-gnn), a surrogate model that uses a graph neural network to represent input architectures in the form of a directed graph. This graph representation allows for a diverse set of model architectures to all be effectively handled by a surrogate model. We present the architecture and performance of the model, as evaluated by the new proposed benchmark, including SMAPE, $R^2$ score, and inference times, and find that lui-gnn generally predicts latency and utilization for the 75\% quantile within several percent of the synthesized resources on the synthetic test dataset, indicating that this approach of estimating resource and latency via a surrogate models has promise and warrants further research.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Relativistic plasma effects and ion acceleration using Scarlet and ELI-NP

High energy density science (HEDS) explores the nature of matter under extreme conditions of temperature and pressure. It has wide ranging fundamental importance from understanding the physical structure of our planet to extreme phenomena in the cosmos. It also has many applications such as facilitating imaging with ions, neutrons, x-rays, gamma rays and more with new applications being developed, including materials processing and medical therapies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗