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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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254 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Time-Resolved Neutron Imaging for Hydrogen Uptake in Subsurface Lithologies

Geologic hydrogen production and underground storage are increasingly important for meeting rising energy demands while providing clean-combustion advantages. However, hydrogen’s high diffusivity and propensity for leakage through porous media necessitate direct evaluation of its transport behavior in subsurface materials. Whereas X-ray microcomputed tomography (μCT) studies often employ contrast agents or surrogate gases, this study leverages neutron transmission radiography/CT to observe hydrogen migration in situ. This work represents the first demonstration of real-time neutron radiography of hydrogen migration in reservoir and caprock lithologies. Cylindrical cores of Indiana limestone, Amherst Gray sandstone, and Tumey shale were subjected to constant-pressure hydrogen charging and scanned in real time using high-resolution neutron radiography. Results indicate immediate hydrogen infiltration in sandstone and limestone, with homogeneous distribution detected throughout their pore structure. In contrast, hydrogen remained largely absent from fine-grained shale under the same pressure, except in an apparently localized fracture zone, where neutron signatures confirmed the presence of hydrogen. Subsequent neutron CT of the sandstone sample, using image subtraction against an uncharged reference, corroborated hydrogen distribution patterns. Even under lowpressure, single-phase conditions, distinct neutron imaging signatures of hydrogen were achieved. These preliminary findings underscore the potential of neutron imaging for advancing subsurface hydrogen migration research.

08 HYDROGEN↗
DOE OSTI2024

QED corrections to the thermal neutrino interaction rate

Abstract Motivated by precision computations of neutrino decoupling at MeV temperatures, we show how QED corrections to the thermal neutrino interaction rate can be related to the electron-positron spectral function as well as an effective$$\overline{\nu }\nu \gamma $$vertex. The spectral function is needed both in a timelike and in a spacelike domain, and for both of its physical polarization states (transverse and longitudinal with respect to spatial momentum). Incorporating an NLO evaluation of this spectral function, an estimate of the$$\overline{\nu }\nu \gamma $$vertex, and HTL resummation of scatterings mediated by soft Bose-enhancedt-channel photons, we compute the interaction rate as a function of the neutrino momentum and flavour. Effects on the – (0. . .2)% level are found, noticeably smaller than a previous estimate of a related quantity.

Physics↗
DOE OSTI2025

32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery

Abstract Large language models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 32 total projects developed during the second annual LLM hackathon for applications in materials science and chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

Computer Science↗
DOE OSTI1991

Nuclear Safety [Vol. 32, No. 4, October-December 1991]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 477 Report on the International Symposium on the Use of Probabilistic Safety Assessment for Operational Safety—PSA '91, S. Chakraborty and M. Khatib-Rahbar; 488 Good Relationships Are Pivotal in Nuclear Data Bases, A. S. Heger and B. V. Koen; 494 Technical Note: The Interagency Nuclear Safety Review Panel's Evaluation of the Ulysses Space Mission, J. A. Sholtis, Jr., D. A. Huff, L. B. Gray, N. P. Klug, and R. O. Winchester; ACCIDENT ANALYSIS: 502 The Severe Accident Analysis Program for the Savannah River Nuclear Production Reactors, M. L. Hyder; CONTROL AND INSTRUMENTATION: 511 A Framework for Selecting Suitable Control Technologies for Nuclear Power Plant Systems, R. A. Kisner; DESIGN FEATURES: 521 Containments for Gas-Cooled Power Reactors History and Status, P.W. Williams; ENVIRONMENTAL EFFECTS: 537 Indoor Radon: A Natural Risk, N. H. Harley and J.H. Harley; On the Importance of the Atmospheric Parameters in the Fission Products Distribution of a Severe Reactor Accident, M. C. Barla and A. R. Bayulken; Book Review: Health Effects of Exposure to Low Levels of Ionizing Radiation BEIR V, C. R. Richmond; WASTE AND SPENT FUEL MANAGEMENT: 555 Activities Related to Waste and Spent Fuel Management, M. D. Muhlheim and E. G. Silver OPERATING EXPERIENCES: 567 Effects of Component Aging on the Westhinghouse Control Rod Drive System, K. Sullivan and W. Gunther; 577 Reactor Shutdown Experience, Compiled by J. W. Cletcher, 580 Selected Safety-Related Events, Compiled by G. A. Murphy; 582 Operating U 8 Power Reactors, Compiled by M. D. Muhlheim and E. G. Silver, RECENT DEVELOPMENTS: 596 General Administrative Activities, Compiled by M. D. Muhlheim and E. G. Silver; 610 Reports, Standards, and Safety Guides, D. S. Queener; 614 Proposed Rule Changes as of June 30, 1991; ANNOUNCEMENTS: 520 Workshop on PC PRAISE: A Probabilistic Fracture Mechanics Personal Computer Code for Nuclear Power Plant Piping Reliability Assessment; 536 Fifth Workshop on Nuclear Power Plant Containment Integrity; 624 New OECD "International Information System on Occupational Exposure (ISOE)"; 625 Harvard School of Public Health Announces Short Courses; 625 Eighth Power Plant Dynamics, Control and Testing Symposium; 626 Second Training Course on Off-Site Emergency Planning and Response for Nuclear Accidents; 618 The Authors; 622 Reviewers of Nuclear Safety, Vol 32.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Machine learning approach for vibronically renormalized electronic band structures

Here, we present a machine learning (ML) method for efficient computation of vibrational thermal expectation values of physical properties from first principles. Our approach is based on the nonperturbative frozen phonon formulation in which stochastic Monte Carlo algorithm is employed to sample configurations of nuclei in a supercell at finite temperatures based on a first-principles phonon model. A deep-learning neural network is trained to accurately predict physical properties associated with sampled phonon configurations, thus bypassing the time-consuming ab initio calculations. To incorporate the point-group symmetry of the electronic system into the ML model, group-theoretical methods are used to develop a symmetry-invariant descriptor for phonon configurations in the supercell. We apply our ML approach to compute the temperature dependent electronic energy gap of silicon based on density functional theory (DFT). We show that, with less than a hundred DFT calculations for training the neural network model, an order of magnitude larger number of sampling can be achieved for the computation of the vibrational thermal expectation values. Our work highlights the promising potential of ML techniques for finite temperature first-principles electronic structure methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

A Full-Induction Magnetohydrodynamics Solver for Liquid Metal Fusion Blankets in Vertex-CFD

Multiphysics modeling of liquid metal fusion blankets, which produce tritium and convert energy of neutrons created via fusion reactions into heat, is crucial for predicting performance, ensuring structural integrity, and optimizing energy production. While traditional blanket modeling of liquid metal flows during normal steady operating conditions commonly employs the inductionless approximation of the magnetohydrodynamics (MHD) equations, transient scenarios, when the plasma-confining magnetic field varies on millisecond time scales, require a full-induction MHD approach that dynamically evolves the magnetic field via the time-dependent induction equation. This paper presents the formulation, implementation, and initial verification of a full-induction MHD solver integrated within the open-source Vertex-CFD framework, which aims to achieve tight multiphysics coupling, a flexible software design enabling easy extension and addition of physics models, and performance portability across computing platforms. The solver utilizes finite element spatial discretization, implicit Runge–Kutta time integration, and an inexact Newton method to solve the resulting discrete nonlinear system, leveraging Trilinos packages for efficient computation. Verification against selected benchmark problems demonstrates accuracy and robustness of the solver. Furthermore, when the solver is applied to an idealized blanket model in 2.5D and full 3D, results obtained with Vertex-CFD are in good agreement with recently published quasi-2D simulations. These findings establish a computational foundation for future simulations of transient MHD phenomena in liquid metal blankets with Vertex-CFD, and open avenues for future extensions and performance optimizations.

Endeve, Eirik [ORNL] (ORCID:0000000312519507)↗
DOE OSTI2026

Multi-purpose quantum laboratories from superconducting circuits

Superconducting circuits (SCs) are the cornerstone of modern quantum technology, enabling scalable computing through coherent control of macroscopic quantum states. Through a legacy that predates modern quantum computing, SCs have emerged as high-precision instruments for discovery. In this review, we highlight the role of SCs as general-purpose quantum laboratories, outlining the emerging landscape of correlated matter-circuit science. We review and unify the capabilities of superconducting quantum hardware across condensed matter, high energy and quantum information sciences. We trace the technical evolution of these architectures, illustrating how their foundational development has culminated in a toolkit for resolving the complexities of macroscopic quantum states.

Arora, Arpit [UCLA, Los Angeles (main); UCLA; Haim↗
DOE OSTI2026

Assessing the Impact of a Forest Canopy on Near-Surface Wind Statistics

Representing the forest canopy in atmospheric numerical models should improve simulated winds within and above the canopy up to a few hundred meters above the ground. Here, in this study, we implement a forest canopy parameterization into the Weather Research and Forecasting (WRF) Model in a large-eddy simulation (LES) mode by applying drag forces across multiple layers within the canopy height. We use unique observations from the Lidar Experiments for Assessing Flow over Forests (LEAFF) field campaign at the Wind River Experimental Forest (WREF) in the U.S. Pacific Northwest to evaluate model performance. In a 2-day case study, the canopy parameterization improved wind predictions both within and above the canopy, particularly during the daytime and at finer grid resolution. Without it, winds were frequently overpredicted above the canopy. Similarly, derived quantities such as the wind shear index also yielded estimates closer to observations with the canopy parameterization implemented. These findings suggest that representing the canopy using drag forces alone can improve simulated mean winds up to 200 m above the surface. Furthermore, second-order statistical moments of wind were more sensitive to canopy density than first-order moments, especially during the daytime. This increased sensitivity and the improved daytime performance in wind speed—evidenced by the lowest bias from observations (3% compared to 20% over diurnal cycle)—imply that winds above the canopy layer are strongly influenced by how well turbulence above the canopy is modeled. The results of this study can serve as a foundation for parameterizing forest canopy effects in coarser weather forecast models.

Energy - Wind↗
DOE OSTI2025

Influence of gradation on failure mode of saturated sand at particle scale

Extensive research has been reported in the literature to characterize the failure mode of dry sand using various experimental techniques such as surface optical imaging, photo-elastic materials, three-dimensional (3D) computed tomography (CT), and 3D synchrotron micro-computed tomography (SMT). However, there is a limited literature about the behavior of saturated sand. This paper presents the results of axisymmetric triaxial compression (ATC) experiments that were conducted on saturated sand specimens. The behavior of specimens composed of a uniform sand with grain size between US sieves #40 and #50 is compared to specimens conducted on the same sand that has a wider gradation. 3D SMT technique was used to acquire 3D scans while shearing the specimens to probe localized events that are completely missed or misinterpreted when analyzing ATC measurements based on global standard measurements. The results show a higher effective principal stress ratio (EPSR) for the non-uniform specimen and a thicker shear band when compared to uniform specimen.

Elnur, Mohammed [University of Tennessee]↗
DOE OSTI2026

Development of a Framework and Methodology for an Advanced Reactor Materials Environmental Effects Design Guide

Advanced non-light-water reactor components may operate at elevated temperature while experiencing cyclic loading, significant neutron irradiation, and exposure to reactor coolant. ASME Boiler and Pressure Vessel Code, Section III, Division 5, provides design rules for elevated-temperature service but does not include specific procedures to account for environmental effects on material properties. This report develops an initial framework and methodology for an Environmental Effects Design Guide (EEDG) focused on neutron irradiation; coolant-environment effects are reserved for future work. The proposed approach treats irradiation as a property-based overlay on the existing Division 5 design process, with two routes: a sparse-data route applying two reduction factors — FCR on creep-rupture strength and FF on fatigue life — for the creep-fatigue evaluations that typically control the design of advanced high-temperature reactor components, and a fuller framework developing the property-to-rule chain across the four Division 5 checks (primary load, strain limits and ratcheting, creep-fatigue, and buckling), together with swelling and weldments as scope items. Both routes are scoped by an in-pile qualification that restricts the use of post-irradiation-examination-derived properties in regimes where an in-pile mechanism could control the design outcome. Illustrative outputs derived on a compiled annealed Type 316 database — FCR ≈ 0.78–0.86 and FF ≈ 0.4 — demonstrate the calculation method within that specific dataset. The framework is an initial, testable design-rule concept; it identifies a practical path for preliminary design evaluations under sparse data and the material data and testing needed to develop the framework further.

Barua, Bipul (ORCID:0000000247184113)↗
DOE OSTI2026

Impacts of Multidimensional Progenitor Perturbations on Core-collapse Supernova Explosions

Numerical studies of core-collapse supernovae have demonstrated the importance of nonradial motions in precollapse progenitors on the explosion outcome. We use the Chimera neutrino radiation hydrodynamics code running seven two-dimensional simulations of 15 M⊙ progenitors with different progenitor structures introduced by different one- and two-dimensional precollapse stellar evolution environments to examine the impacts of stellar structure and nonspherical motion in the precollapse progenitor on the development of explosions. We compare the explosion evolution of these models in terms of shock dynamics, diagnostic energy, neutrino heating, accretion, explosion geometry, nuclear abundances, and turbulent convection. We also analyze how stochastic variation impacts our simulations. Contrary to results reported in prior studies examining the impacts of multidimensional progenitors, we observe similar shock revival times and explosion development in our simulations despite differences in initial compositions and structures. We find no discernible impact from the accretion of nonradial perturbations from a multi-D progenitor onto the stalled shock in the revival and strength of explosion, as fully developed neutrino-driven convection behind the stalled shock is similar for all our models. For models with physically sourced noise in the iron core, a strong oscillation of the shock occurs after bounce and deflects infall laterally, and accelerates the saturation of the lateral turbulent kinetic energy. An examination of model stochasticity shows that any prior expected impacts on explosive outcome due to convection-related perturbations lie below the detectable threshold of numerical variation.

Chen, Chien-Hui [North Carolina State University]↗
DOE OSTI2024

Learning Nonlinear Reduced Models from Data with Operator Inference

This review discusses Operator Inference, a nonintrusive reduced modeling approach that incorporates physical governing equations by defining a structured polynomial form for the reduced model, and then learns the corresponding reduced operators from simulated training data. The polynomial model form of Operator Inference is sufficiently expressive to cover a wide range of nonlinear dynamics found in fluid mechanics and other fields of science and engineering, while still providing efficient reduced model computations. The learning steps of Operator Inference are rooted in classical projection-based model reduction; thus, some of the rich theory of model reduction can be applied to models learned with Operator Inference. This connection to projection-based model reduction theory offers a pathway toward deriving error estimates and gaining insights to improve predictions. Furthermore, through formulations of Operator Inference that preserve Hamiltonian and other structures, important physical properties such as energy conservation can be guaranteed in the predictions of the reduced model beyond the training horizon. This review illustrates key computational steps of Operator Inference through a large-scale combustion example.

Mechanics↗
DOE OSTI2022

Variational Quantum Circuits to Prepare Low Energy Symmetry States

We explore how to build quantum circuits that compute the lowest energy state corresponding to a given Hamiltonian within a symmetry subspace by explicitly encoding it into the circuit. We create an explicit unitary and a variationally trained unitary that maps any vector output by ansatz A(α → ) from a defined subspace to a vector in the symmetry space. The parameters are trained varitionally to minimize the energy, thus keeping the output within the labelled symmetry value. The method was tested for a spin XXZ Hamiltonian using rotation and reflection symmetry and H 2 Hamiltonian within S z = 0 subspace using S 2 symmetry. We have found the variationally trained unitary gives good results with very low depth circuits and can thus be used to prepare symmetry states within near term quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Rapid Quantum Ground State Preparation via Dissipative Dynamics

Inspired by natural cooling processes, dissipation has become a promising approach for preparing low-energy states of quantum systems. However, the potential of dissipative protocols remains unclear beyond certain commuting Hamiltonians. This work provides significant analytical and numerical insights into the power of dissipation for preparing the ground state of noncommuting Hamiltonians. For quasi-free dissipative dynamics, including certain 1D spin systems with boundary dissipation, our results reveal a new connection between the mixing time in trace distance and the spectral properties of a non-Hermitian Hamiltonian, leading to an explicit and sharp bound on the mixing time that scales polynomially with system size. For more general spin systems, we develop a tensor network-based algorithm for constructing the Lindblad jump operator and for simulating the dynamics. Using this algorithm, we demonstrate numerically that dissipative ground state preparation protocols can achieve rapid mixing for certain 1D local Hamiltonians under bulk dissipation, with a mixing time that scales logarithmically with the system size. We then prove the rapid mixing result for certain weakly interacting spin and fermionic systems in arbitrary dimensions, extending recent results for high-temperature quantum Gibbs samplers to the zero-temperature regime. Together, these results show that dissipation can be a powerful tool for ground state preparation, with potential applications across condensed matter physics, quantum materials science, and beyond.

decoherence↗
DOE OSTI2024

Surface phase diagrams from nested sampling

From nested sampling, we compute the partition function and, from that, the phase diagram of gas adsorbates, including their anharmonic and configurational degrees of freedom, on flat and stepped surfaces of the Lennard-Jones solid.

Chemistry↗
DOE OSTI2027

From zonal to nodal capacity expansion planning: Spatial aggregation impacts on a realistic test-case

Solving power system capacity expansion planning (CEP) problems at realistic spatial resolutions is computationally challenging. Thus, a common practice is to solve CEP over zonal models with low spatial resolution rather than over full-scale nodal power networks. Due to improvements in solving large-scale stochastic mixed integer programs, these computational limitations are becoming less relevant, and the assumption that zonal models are realistic and useful approximations of nodal CEP is worth revisiting. Here, this work is the first to conduct a systematic computational study on the assumption that spatial aggregation can reasonably be used for ISO-scale CEP. By considering a realistic, large-scale test network based on the state of California with over 8000 buses, we find that well-designed small spatial aggregations can yield good approximations but that coarser zonal models may result in large distortions of investment decisions, e.g., capacity under-investment of up to 41% for the lowest resolution model considered.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI1996

Nuclear Safety [Vol. 37, No. 2, April-June 1996]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 97 The Nuclear Community and the Public: Cognitive and Cultural Influences on Thinking About Nuclear Risk, M. A. Meyer; 109 Twenty-Third Water Reactor Safety Information Meeting, D. A. Copinger; ACCIDENT ANALYSIS: 126 Analysis of a PWR LBLOCA Without SCRAM, Trevor N. Tyler, Rafael Macian-Juan and John H. Mahaffy; DESIGN FEATURES: 139 Vulnerability of Multiple-Barrier Systems, N. C. Lind; ENVIRONMENTAL EFFECTS: 149 A Study of Wet Catalytic Oxidation of Radioactive Spent Ion Exchange Resin by Hydrogen Peroxide, Xingchao Jian, Tianbao Wu, and Guichun Yun; 157 A Comparison Study and Resolution of Differences Between Emergency Response and Safety Analysis Codes Used at the Savannah River Site, A. A. Simpkins; OPERATING EXPERIENCES: 164 Reactor Shutdown Experience, Compiled by J. W. Cletcher; RECENT DEVELOPMENTS: 167 Reports, Standards, and Safety Guides, D. S. Queener; 172 Proposed Rule Changes as of Dec. 31,1995; ANNOUNCEMENTS: 178 American Nuclear Society 1997 Annual Meeting; 178 American Nuclear Society Nuclear Criticality and Safety Division Topical Meeting; 176 The Authors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Full-core high-burnup BWR LOCA fuel performance analysis and FFRD susceptibility

The susceptibility of the boiling water reactor (BWR) Limerick Unit 1 to fuel fragmentation, relocation, and dispersal during a postulated large-break loss-of-coolant accident (LBLOCA) was calculated using a multiphysics framework. The simulations include full-core, rod-resolved neutronic, thermal hydraulic, and fuel performance models using the VERA, TRACE, and BISON codes. This work focused on the transient BISON simulations, which include both the normal operation and LBLOCA periods in the same simulations. Cladding integrity was assessed using two correlations that are included with BISON. make page break Several new BWR-specific features were recently added to BISON. This work represents the first time these features have been included in a core-scale set of simulations. This study hence evaluates the performance of these new models for an operating reactor with realistic operating conditions. Simulation results showed that cladding integrity was maintained (i.e., no rods burst). Finally, future work to improve BWR and PWR predictions using this framework is suggested.

BISON↗