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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Virtual Reality for Shoot/No-Shoot Decision Training in Law Enforcement: A Literature Review and Research Agenda

Virtual reality (VR) can materially improve “shoot / no-shoot” (SNS) training by giving officers realistic, repeatable practice making high-stakes decisions under pressure. Traditional tools—live-fire ranges and video simulators—build basics, but they cannot adapt to each officer in real time or fully mirror the complexity of the field. VR closes that gap by creating immersive scenarios that are safer, more flexible, easier to scale across units, and able to capture objective performance data. SNS decisions are not just about marksmanship; they rely on perception, judgment, memory, and the ability to hold fire when a threat is uncertain. Effective training therefore needs realism, decision complexity, and branching outcomes that reflect the true consequences of choices. These elements strengthen recognition of hostile intent while reducing false positives and building the self-control required in ambiguous situations. VR brings specific advantages: dynamic environments, full-body interaction, and the ability to measure performance with precision—enabling targeted feedback and better transfer of learning to the street. At the same time, responsible deployment must address scenario quality (credible environments and behaviors), lawful decision models, and user wellbeing (appropriate stress levels, comfort, and safety). Sandia’s VIPER Lab is positioned to lead this work. The team combines human-performance science, AI/ML, and VR/AR development with a deep equipment bench (e.g., omnidirectional treadmill, eye-tracking, haptics, multiple HMDs). This ecosystem supports building and validating next-generation SNS training that is immersive, measurable, and trustworthy. Bottom line: Investment in VR-enabled SNS training that blends evidence-based design with careful validation and legal safeguards is expected to pay off in safer, more consistent decision-making and improved community trust, delivered through training that is practical to deploy at scale.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2026

Cybersecurity Workforce Training for SMR Integration into Distribution Grids: A Competency Framework and Containerized Hands-On Lab for the SMR/DER/Microgrid Boundary

Small modular reactors (SMRs) and microreactors are entering the U.S. distribution grid as synchronous generation on feeders designed for loads and inverter-based distributed energy resources (DERs). No existing cybersecurity training program addresses this intersection of nuclear operations, DER management, and operational technology security. As subcontractor to Iowa State University on the CyDERMS Center, Argonne analyzed the relevant standards and training landscape, translated the resulting gaps into a twelve-objective competency framework across distribution-operator and graduate-analyst role tracks, and built a containerized training lab using a ∼400-bus composite grid model behind a realistically simulated Modbus TCP SCADA stack. The analysis isolates the balance-of-plant / energy-management-system (BOP/EMS) boundary as the critical jurisdictional seam where, as of March 2026, neither NRC nor NERC CIP cleanly claims cybersecurity responsibility for distribution-connected SMRs. The framework maps each objective across NIST CSF 2.0, ISA/IEC 62443, NIST NICE Task–Knowledge–Skill statements, and NRC RG 5.71 awareness-and-training controls. The training lab implements operator-recognition assessment scenarios spanning grid-side disturbances and telemetry-layer anomalies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Datasets for Custom-trained Machine-learning Interatomic Potentials: Nitric Acid Aqueous Solution

This dataset was generated using an iterative active learning strategy with the ArcaNN software package (https://github.com/arcann-chem/arcann_training) to train machine-learning interatomic potentials (MLIPs) for aqueous nitric acid. Each active-learning cycle consisted of three stages: (1) training, (2) exploration, and (3) labeling. The initial training set comprised approximately 800 randomly selected configurations from a previous study by Lewis et al. (https://doi.org/10.1021/jp205510q), which investigated nitric acid solutions at 2, 3, 4, and 5 mol/L. For all configurations, single-point calculations of atomic forces and total energies were performed at the quantum density functional theory BLYP-D2 and PBE-D3 levels of theory using the CP2K Quickstep module. Valence electrons were treated explicitly, while core electrons on all atoms were represented by norm-conserving Goedecker–Teter–Hutter (GTH) pseudopotentials. Long-range dispersion interactions were accounted for using Grimme dispersion corrections. Wave functions were expanded in a mixed Gaussian-and-plane-wave scheme using TZV2P-MOLOPT basis sets for all elements and an 800 Ry auxiliary plane-wave cutoff for the electron density. Self-consistent field convergence was accelerated using orbital transformation and Direct Inversion in the Iterative Subspace, with a convergence threshold of 10^{-6}. All single-point calculations were carried out in periodic orthorhombic cells whose dimensions match those of the molecular configurations sampled from earlier trajectories. The CELL_REF keyword in CP2K was used to define a fixed reference cell, ensuring consistency in the reference data used for MLIP training, particularly when cell fluctuations are present in NpT simulations. The resulting high-fidelity energies and forces constitute the ground-truth labels used to train the MLIPs contained in this dataset.

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗
DOE OSTI2025

Dataset, Code, and Models for Training Deep Learning Potentials for Low Temperature Plasma-Surface Interactions

This repository contains datasets, training scripts, and finished models, and test simulations used in the development of DeepREBO— a machine-learned interatomic potential trained to emulate the REBO2 empirical potential. The data was generated to study deep potential development for simulations of plasma-surface interactions. It uses an active learning framework, starting from a minimal dataset and iteratively expanding it. Included are those generated datasets, the trained models, and simulations used to evaluate the performance of the training process. This resource supports reproducibility and provides a reference framework for training deep potentials in plasma-surface interaction studies.

active learning↗
DOE OSTI2025

A geometric framework for momentum-based optimizers for low-rank training

Low-rank pre-training and fine-tuning have recently emerged as promising techniques for reducing the computational and storage costs of large neural networks. Training low-rank parameterizations typically relies on conventional optimizers such as heavy ball momentum methods or Adam. In this work, we identify and analyze potential difficulties that these training methods encounter when used to train low-rank parameterizations of weights. In particular, we show that classical momentum methods can struggle to converge to a local optimum due to the geometry of the underlying optimization landscape. To address this, we introduce novel training strategies derived from dynamical low-rank approximation, which explicitly account for the underlying geometric structure. Our approach leverages and combines tools from dynamical low-rank approximation and momentum-based optimization to design optimizers that respect the intrinsic geometry of the parameter space. We validate our methods through numerical experiments, demonstrating faster convergence, and stronger validation metrics at given parameter budgets.

Schotthoefer, Steffen [ORNL] (ORCID:00000002156965↗
DOE OSTI2024

Importance of Hands-on Training within the Nuclear Industry

Almost all work performed within the nuclear industry requires some form of training, regardless of an individual’s education. While many of the hazards that exist in nuclear operations are present in other industries (e.g., industrial safety), nuclear operations have the unique hazards of radiation and inadvertent criticality. Therefore, these topics require additional training for individuals performing hands-on work or accessing those work areas. Many methods are available to train people including lectures (either with an instructor or automated video), reading procedures/policies, hands-on demonstrations, and on-the-job training.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

A mathematical approach to using the forgetting curve to evaluate experience and training factors in human reliability analysis

Traditional human reliability analysis (HRA) methods have difficulty dealing with the dynamic nature of factors such as time and rely on static and expert-judgment-based assessments of performance-shaping factors (PSFs) across limited levels. In this study, we introduce a mathematical approach for dynamically evaluating the experience and training PSF. Our proposed method integrates the psychological concept of the “forgetting curve” to evaluate how PSFs are impacted by the number of trainings and the time elapsed since training. To confirm the validity of the model, we provide experimental data fitted by identifying the quantitative relationship between training and human performance. This research enables dynamic and objective assessments, thus reducing reliance on subjective expert judgment and improving the accuracy of HRA.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2026

Augmented Reality Technologies for Radiation Safety Training: A Systematic Review of Sensor Integration and Visualization Approaches

This paper presents a comprehensive systematic review examining the application of augmented reality (AR) and sensor technologies for visualizing ionizing radiation in virtual training environments. The review methodology involved systematic identification and analysis of the relevant literature based on predetermined criteria including publication type, year of publication, application domain, and technological approach. The literature search encompassed publications from 2011 to 2021 across four major academic databases: Web of Science, Google Scholar, IEEE Xplore, and Scopus. Through rigorous screening following PRISMA 2020 guidelines, 23 research articles met the inclusion criteria for detailed analysis. From 404 initial database records, 360 were excluded during title/abstract screening (primarily for lacking AR components, radiation focus, or training applications) and 4 during full-text assessment (all for lacking sensor integration). The findings reveal that AR-based ionizing radiation visualization has been successfully implemented across diverse domains, including nuclear facility operations, medical procedures, CERN research activities, and educational and monitoring applications. The analysis identified multiple dimensions of impact, encompassing distinct benefits, emerging opportunities, and implementation challenges associated with AR deployment for ionizing radiation training. Each of these dimensions is comprehensively examined and documented within this review. Additionally, this study identifies critical research gaps that currently limit the full potential of AR technology in supporting ionizing radiation training programs. These gaps are systematically analyzed and discussed to establish clear directions for future research endeavors in this emerging field.

61 - RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2026

U-net architected deep material network training with microstructure local field information

The Deep Material Network (DMN) has recently emerged as a powerful reduced-order modeling framework for simulating the mechanical response of heterogeneous materials such as composites. Unlike most data-driven approaches that directly learn a material’s response under prescribed loading, the DMN acts as a homogenization operator, learning the kinematic constraints and mechanical interactions of the underlying microstructure. However, traditional DMN training relies exclusively on homogenized effective properties derived from Direct Numerical Simulations (DNS), discarding the rich local field data that govern microstructural interactions. In this work, we extend the DMN framework to incorporate such local field information into the offline training process. Utilizing a U-Net architecture, we augment the DMN training objective to include the first and second statistical moments of the local stress fields obtained from linear DNS. This ensures that the learned network topology not only fits the effective stiffness but also accurately reflects the internal local stress and strain partitioning of the microstructure. The results confirm that supervising the localization process during training yields a superior surrogate model, reducing local prediction errors by an order of magnitude and significantly improving generalization to unseen nonlinear constitutive behaviors compared to traditional DMNs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Scalable training of trustworthy and energy-efficient predictive graph foundation models for atomistic materials modeling: a case study with HydraGNN

We present our work on developing and training scalable, trustworthy, and energy-efficient predictive graph foundation models (GFMs) using HydraGNN, a multi-headed graph convolutional neural network architecture. HydraGNN expands the boundaries of graph neural network (GNN) computations in both training scale and data diversity. It abstracts over message passing algorithms, allowing both reproduction of and comparison across algorithmic innovations that define nearest-neighbor convolution in GNNs. This work discusses a series of optimizations that have allowed scaling up the GFMs training to tens of thousands of GPUs on datasets consisting of hundreds of millions of graphs. Our GFMs use multitask learning (MTL) to simultaneously learn graph-level and node-level properties of atomistic structures, such as energy and atomic forces. Using over 154 million atomistic structures for training, we illustrate the performance of our approach along with the lessons learned on two state-of-the-art US Department of Energy (US-DOE) supercomputers, namely the Perlmutter petascale system at the National Energy Research Scientific Computing Center and the Frontier exascale system at Oak Ridge Leadership Computing Facility. The HydraGNN architecture enables the GFM to achieve near-linear strong scaling performance using more than 2000 GPUs on Perlmutter and 16,000 GPUs on Frontier.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

An adaptive and stability-promoting layerwise training approach for sparse deep neural network architecture

This work presents a two-stage adaptive framework for progressively developing deep neural network (DNN) architectures that generalize well for a given training data set. In the first stage, a layerwise training approach is adopted where a new layer is added each time and trained independently by freezing parameters in the previous layers. We impose desirable structures on the DNN by employing manifold regularization, sparsity regularization, and physics-informed terms. We introduce a ε – δ – stability-promoting concept as a desirable property for a learning algorithm and show that employing manifold regularization yields a ε – δ stability-promoting algorithm. Further, we also derive the necessary conditions for the trainability of a newly added layer and investigate the training saturation problem. In the second stage of the algorithm (post-processing), a sequence of shallow networks is employed to extract information from the residual produced in the first stage, thereby improving the prediction accuracy. Numerical investigations on prototype regression and classification problems demonstrate that the proposed approach can outperform fully connected DNNs of the same size. Moreover, by equipping the physics-informed neural network (PINN) with the proposed adaptive architecture strategy to solve partial differential equations, we numerically show that adaptive PINNs not only are superior to standard PINNs but also produce interpretable hidden layers with provable stability. As a result, we also apply our architecture design strategy to solve inverse problems governed by elliptic partial differential equations.

42 ENGINEERING↗
DOE OSTI2024

A Novel Method to Train Classification Models for Structure Detection in In Situ Spacecraft Data

We present a method for creating spacecraft-like data which can be used to train Machine Learning (ML) models to detect and classify structures in in situ spacecraft data. First, we use the Grad-Shafranov equation to numerically solve for several magnetohydrostatic equilibria which are variations on a known analytic equilibrium. These equilibria are then used as the initial conditions for Particle-In-Cell simulations in which the structures of interest are observed and labeled. We then take one-dimensional slices through the simulations to replicate what a spacecraft collecting data from the simulation would observe. This sliced data then can be used as training data for the initial training of ML models intended for use on spacecraft data. We demonstrate the method applied to the problem of detecting small-scale plasmoids in the magnetotail, which is important for understanding complex magnetotail reconnection dynamics. The simple 1D classifier we train is able to detect more than 70% of the plasmoid points in the data set but also produces a large number of false positives. Our further work on this example problem is detailed, and further potential uses of the method are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Teacher-student training improves the accuracy and efficiency of machine learning interatomic potentials

Machine learning interatomic potentials (MLIPs) are revolutionizing the field of molecular dynamics (MD) simulations. Recent MLIPs have tended towards more complex architectures trained on larger datasets. The resulting increase in computational and memory costs may prohibit the application of these MLIPs to perform large-scale MD simulations. Herein, we present a teacher-student training framework in which the latent knowledge from the teacher (atomic energies) is used to augment the students' training. We show that the light-weight student MLIPs have faster MD speeds at a fraction of the memory footprint compared to the teacher models. Remarkably, the student models can even surpass the accuracy of the teachers, even though both are trained on the same quantum chemistry dataset. Our work highlights a practical method for MLIPs to reduce the resources required for large-scale MD simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Empirically-calibrated H100 node power models for accurate AI training energy estimation

Accurately quantifying the energy use of artificial intelligence (AI) training is critical for infrastructure planning, carbon accounting, and sustainable data center operation, but few studies have directly measured the power consumption of production workloads on contemporary hardware. By combining empirical measurements from Brookhaven National Laboratory during AI training on 8-graphics-processing-unit H100 systems with open-source benchmarking data, we develop statistical models relating computational intensity to node-level power consumption. We measure the gap between manufacturer-rated thermal design power (TDP) and actual power demand during AI training. Our analysis reveals that even computationally intensive workloads operate at only 76% of the 10.2 kW TDP rating. Our architecture-specific model, calibrated to floating-point operations, predicts energy consumption with 11.4% mean absolute percentage error, significantly outperforming TDP-based approaches (27%–37% error). We identified distinct power signatures between transformer and convolutional neural network architectures, with transformers showing characteristic fluctuations that may impact grid stability. These results provide a measurement-grounded basis for improving AI training energy estimates, enabling more reliable infrastructure sizing, cost projections, and environmental impact assessments.

Newkirk, Alex C↗
DOE OSTI2025

Microstructural and rheological training and memory of nanocolloidal soft glasses under cyclic shear

An intrinsic feature of disordered and out-of-equilibrium materials, such as glasses, is the dependence of their properties on their history. An important example is rheological memory, in which disordered solids obtain properties based on their deformation history. Here, in this study, we employ x-ray photon correlation spectroscopy with in situ rheometry to characterize memory formation in a nanocolloidal soft glass due to cyclic shear. During a cycle, particles undergo irreversible displacements composed of a combination of shear-induced diffusion and heterogeneous, residual strain fields. At lower shear amplitudes, the displacements resemble a random walk in which the directions in each cycle are independent of those in preceding cycles, while at high amplitude, the irreversible displacements in consecutive cycles become correlated. The magnitudes of the displacements decrease with each cycle before reaching a steady state where the microstructure has been trained to achieve enhanced reversibility even at shear amplitudes well above yielding and despite the presence of thermal fluctuations. At amplitudes below and near yielding, these decreases are monotonic, while well above yielding, they are nonmonotonic, suggesting evidence of shear banding. Accompanying this microstructural training are corresponding decreases in the dissipation during each cycle and the magnitude of the residual stress toward steady-state values. Memory of the training is revealed by measurements in which the amplitude of the shear is changed after steady state is reached. The magnitude of the particle displacements, as well as the dissipation and the change in residual stress, vary nonmonotonically with the new shear amplitude, having minima near the training amplitude, thereby revealing correlated microscopic and macroscopic signatures of memory.

Chen, Yihao [Johns Hopkins Univ., Baltimore, MD (U↗
DOE OSTI2025

Accelerated Over-The-Air Neural Receiver Training Using Self-Contrastive Learning

Self-contrastive learning (SCL), a self-supervised learning method, has been shown to improve image and signal classifier accuracies and reduce the training time for neural communications receivers. In particular, prior work has shown that SCL applied as a pre-training step can improve simulated performance of OFDM in 3GPP TDL channel models by reducing the training time of the downstream classification task (demodulation and demapping). In this work a practical implementation demonstrating SCL pre-training using software defined radios (SDRs) is proposed.

Cooke, Corey [ORNL] (ORCID:0000000234263672)↗
DOE OSTI2025

Swap Path Network for Robust Person Search Pre-training

This code corresponds to the WACV25 conference paper, "Swap Path Network for Robust Person Search Pre-training". In that paper, we introduce a new model for the person search task called the Swap Path Net (SPNet). The person search task is a problem in computer vision, where we locate and rank matches to an image of a query person in a set of other images where we want to find them. We also introduce a novel pre-training algorithm specific to the Swap Path Net architecture. The code implements pre-training and fine-tuning of the Swap Path Net (SPNet). This includes ingesting image datasets and updating the weights of the SPNet neural network to train it for the person search task. The repository contains code, configs, and instructions to reproduce all results from the paper.

Jaffe, LucasW [Lawrence Livermore National Laborat↗
DOE OSTI2025

Reducing Frequency Bias of Fourier Neural Operators in 3D Seismic Wavefield Simulations Through Multistage Training

The recent development of neural operator (NeurOp) learning for solutions to the elastic wave equation shows promising results and provides the basis for fast large-scale simulations for different seismological applications. In this article, we use the Fourier neural operator (FNO) model to directly solve the 3D Helmholtz wave equation for fast seismic ground-motion simulations on different frequencies and show the frequency bias of the FNO model, that is, it learns the lower frequencies better comparing to the higher frequencies. To reduce the frequency bias, we adopt the multistage FNO training, that is, after training a stage 1 FNO model for estimating the ground motion, we use a second FNO model as the stage 2 to learn from the residual, which greatly reduced the errors on the higher frequencies. By adopting this multistage training, the FNO models show reduced biases on higher frequencies, which enhanced the overall results of the ground-motion simulations. Thus the multistage training FNO improves the accuracy and realism of the ground-motion simulations.

earthquakes↗