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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High Energy Physics Network Requirements Review: Final Report, July 2024–December 2024

The world-class research infrastructure at the US Department of Energy (DOE) Office of Science (SC) provides the research community with premier observational, experimental, computational, and network capabilities. Each user facility is designed to provide unique capabilities to advance the core DOE mission in science and technology for its SC program to stimulate rich scientific discoveries and enhance its innovation ecosystem. Research communities gather and flourish around each user facility, bringing together new and enhanced perspectives. The continual reinvention of the practice of science — as users and staff forge novel approaches expressed in research workflows — unlocks new discoveries and propels scientific progress. Within this research ecosystem, the high-performance computing (HPC) and networking user facilities stewarded by the SC’s Advanced Scientific Computing Research (ASCR) program play a dynamic cross-cutting role, enabling complex workflows demanding high-performance data, networking, and computing solutions. The ASCR facilities enterprise seeks to understand and meet the needs and requirements across SC and DOE domain science programs and priority efforts, highlighted by the formal requirements review methodology. Between July and December 2024, the Energy Sciences Network (ESnet) and the Office of High Energy Physics (HEP) of the DOE-SC organized an ESnet requirements review of HEP-supported program activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about its relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2001

HZETRN: neutron and proton production in quasi-elastic scattering of GCR heavy-ions

The development of transport models for radiation shielding design and evaluation has provided a series of deterministic computer codes that describe galactic cosmic radiation (GCR), solar particle events, and experimental beams at particle accelerators. These codes continue to be modified to accommodate new theory and improvements to the particle interaction database (Cucinotta et al., 1994, NASA Technical Paper 3472, US Government Printing Office, Washington DC). The solution employed by the heavy-ion transport code HZETRN was derived with the assumption that nuclear fragments are emitted with the same velocity as the incident ion through velocity conserving nuclear interactions. This paper presents a version of the HZETRN transport code that provides a more realistic distribution of the energy of protons and neutrons emitted from GCR interactions in shields. This study shows that the expected GCR dose equivalent is lower than previously calculated for water shields that are less than 110 g cm-2 thick. Calculations of neutron energy spectra in low Earth orbit indicate substantial contributions from relativistic neutrons. c2001 Elsevier Science Ltd. All rights reseved.

NASA Center LaRC↗
NASA NTRS1994

Teacher Enhancement Institute

In a team building, team teaching strategy with four faculty, can learning strategies such as educational technology and problem based learning be provided to forty local teachers of primary, elementary, and secondary students? The impetus for the effort is to provide information about science and engineering at NASA and motivate students to pursue careers in science and technology. Teachers, identified and selected through a rigorous application procedure, participated in a two week workshop for a graduate credit. Teachers were exposed to computer applications such as INTERNET, MOSAIC, Power Machintosh word processing, NASA scientists, and laboratory experiments. Teachers were evaluated on level and quality of their participation, design of teacher application materials and relevant lesson plans and presentations. The results show that teachers, regardless of preparation and background, can learn science and engineering applications and develop relevant materials to transfer information to their classroom. Follow-up during the academic year will show that teachers are successfully using materials.

Simmons, Ron W.↗
NASA NTRS1985

Computer-aided design of polymers and composites

This book on computer-aided design of polymers and composites introduces and discusses the subject from the viewpoint of atomic and molecular models. Thus, the origins of stiffness, strength, extensibility, and fracture toughness in composite materials can be analyzed directly in terms of chemical composition and molecular structure. Aspects of polymer composite reliability are considered along with characterization techniques for composite reliability, relations between atomic and molecular properties, computer aided design and manufacture, polymer CAD/CAM models, and composite CAD/CAM models. Attention is given to multiphase structural adhesives, fibrous composite reliability, metal joint reliability, polymer physical states and transitions, chemical quality assurance, processability testing, cure monitoring and management, nondestructive evaluation (NDE), surface NDE, elementary properties, ionic-covalent bonding, molecular analysis, acid-base interactions, the manufacturing science, and peel mechanics.

Kaelble, D. H.↗
NASA NTRS2002

Institute for Scientific and Educational Technology (ISET)-Education, Research and Training Programs in Engineering and Sciences

The 'Institute for Scientific and Educational Technology' has been established to provide a mechanism through which universities and other research organizations may cooperate with one another and with different government agencies and industrial organizations to further and promote research, education, and training programs in science, engineering, and related fields. This effort has been undertaken consistent with the national vision to 'promote excellence in America s educational system through enhancing and expanding scientific and technological competence.' The specific programs are directed in promoting and achieving excellence for individuals at all levels (elementary and secondary schools, undergraduate and graduate education, and postdoctoral and faculty research). The program is consistent with the existing activities of the Institute for Computational and Applied Mechanics (ICAM) and the American Society for Engineering Education (ASEE) at NASA Langley Research Center (LaRC). The efforts will be directed to embark on other research, education, and training activities in various fields of engineering, scientific, and educational technologies. The specific objectives of the present program may be outlined briefly as follows: 1) Cooperate in the various research, education, and technology programs of the Office of Education at LaRC. 2) Develop procedures for interactions between precollege, college, and graduate students, and between faculty and students at all levels. 3) Direct efforts to increase the participation by women and minorities in educational programs at all levels. 4) Enhance existing activities of ICAM and ASEE in education, research, and training of graduate students and faculty. 5) Invite distinguished scholars as appropriate and consistent with ISET goals to spend their summers and/or sabbaticals at NASA Langley andor ODU and interact with different researchers and graduate students. Perform research and administrative activities as needed to carry out the above mentioned activities. 6) The implementation of various activities of the ISET programs is carried out through cooperative efforts between Old Dominion University (ODU) and the Office of Education at LaRC. At present, major efforts are directed on the following ISET Programs: ICAM Programs, Academic Programs, Educational Research, Outreach Programs, Educational Technology and Cooperative Programs. These programs are described in the following sections.

Tiwari, S. N.↗
DOE OSTI2024

Tutorial: Defects in topological semimetals

Three-dimensional topological semimetals are a class of electronic materials in which their bulk and surface states contain linear band touching nodes near the Fermi level. Like semiconductors, their properties will be affected by point and extended defects in their crystal structures, although the extent to which defects and disorders influence topological semimetals may differ in key ways due to their unique electronic structures. In this Tutorial, we provide an overview of the defects in topological semimetals, covering both computational and experimental methods for exploring defect-property relationships. We also include a discussion on open questions that still need to be explored further.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Time-dependent computational studies of flames in microgravity

The research performed at the Center for Reactive Flow and Dynamical Systems in the Laboratory for Computational Physics and Fluid Dynamics, at the Naval Research Laboratory, in support of the NASA Microgravity Science and Applications Program is described. The primary focus was on investigating fundamental questions concerning the propagation and extinction of premixed flames in Earth gravity and in microgravity environments. The approach was to use detailed time-dependent, multispecies, numerical models as tools to simulate flames in different gravity environments. The models include a detailed chemical kinetics mechanism consisting of elementary reactions among the eight reactive species involved in hydrogen combustion, coupled to algorithms for convection, thermal conduction, viscosity, molecular and thermal diffusion, and external forces. The external force, gravity, can be put in any direction relative to flame propagation and can have a range of values. A combination of one-dimensional and two-dimensional simulations was used to investigate the effects of curvature and dilution on ignition and propagation of flames, to help resolve fundamental questions on the existence of flammability limits when there are no external losses or buoyancy forces in the system, to understand the mechanism leading to cellular instability, and to study the effects of gravity on the transition to cellular structure. A flame in a microgravity environment can be extinguished without external losses, and the mechanism leading to cellular structure is not preferential diffusion but a thermo-diffusive instability. The simulations have also lead to a better understanding of the interactions between buoyancy forces and the processes leading to thermo-diffusive instability.

Oran, Elaine S.↗
NASA NTRS1993

Time-dependent Computational Studies of Premixed Flames in Microgravity

This report describes the research performed at the Center for Reactive Flow and Dynamical Systems in the Laboratory for Computational Physics and Fluid Dynamics, at the Naval Research Laboratory, in support of NASA Microgravity Science and Applications Program. The primary focus of this research is on investigating fundamental questions concerning the propagation and extinction of premixed flames in earth gravity and in microgravity environments. Our approach is to use detailed time-dependent, multispecies, numerical models as tools to simulate flames in different gravity environments. The models include a detailed chemical kinetics mechanism consisting of elementary reactions among the eight reactive species involved in hydrogen combustion, coupled to algorithms for convection, thermal conduction, viscosity, molecular and thermal diffusion, and external forces. The external force, gravity, can be put in any direction relative to flame propagation and can have a range of values. Recently more advanced wall boundary conditions such as isothermal and no-slip have been added to the model. This enables the simulation of flames propagating in more practical systems than before. We have used the numerical simulations to investigate the effects of heat losses and buoyancy forces on the structure and stability of flames, to help resolve fundamental questions on the existence of flammability limits when there are no external losses or buoyancy forces in the system, to understand the interaction between the various processes leading to flame instabilities and extinguishment, and to study the dynamics of cell formation and splitting. Our studies have been able to bring out the differences between upward- and downward-propagating flames and predict the zero-gravity behavior of these flames. The simulations have also highlighted the dominant role of wall heat losses in the case of downward-propagating flames. The simulations have been able to qualitatively predict the formation of multiple cells and the cessation of cell-splitting. Our studies have also shown that some flames in a microgravity environment can be extinguished due to a chemical instability and without any external losses. However, further simulations are needed to more completely understand upward-propagating and zero-gravity flames as well as to understand the potential effect of radiative heat losses.

Kailasanath, K.↗
DOE OSTI2025

SULI Intern Final Report: Computationally Investigating Hydrogen Thermo-Diffusion in Yttrium Hydride Using Multiscale Methods

The renaissance of nuclear energy has arrived, heralding an age of abundant inexpensive clean energy, and renewed space exploration. In nuclear-powered spacecraft and microreactors, safety and size are of utmost importance. Yttrium Hydride (YHx) is being researched for its utility as a neutron moderator in nuclear reactors; the hydrogen in YHx slows down neutrons, enabling a continuous nuclear reaction in the reactor. This has the benefit of allowing reactors to be more safe, compact, and efficient. The goal of this effort is to computationally predict the coefficient of temperature-dependent hydrogen diffusion within YHx, the Soret coefficient. This parameter is essential for determining the safe operating modes of YHx moderators. Zirconium Hydride (ZrHx) is used in the Training, Research, Isotopes, General Atomics (TRIGA) reactor, is the reference material for these calculations. In this work, nanoscale atomic modeling in the Vienna Ab initio Simulation Package (VASP) is combined with the mesoscale finite element phase-field module in the Multiphysics Object-Oriented Simulation Environment (MOOSE); this culminates in a new multiscale computational method to simulate Soret diffusion of hydrogen in YHx. This data is useful for predicting experimental outcomes. This workflow involves convergence testing followed by static, Nudged Elastic Band (NEB), Quasi-Harmonic Approximation (QHA), and Molecular Dynamics (MD) calculations - linked with phase field simulation. NEB simulates hydrogen migration, while QHA and MD predict temperature-dependent properties. The static calculations align with literature, and preliminary NEB and QHA calculations yield accurate results. Once the atomic calculations are complete, we will incorporate Electron Backscatter Diffraction (EBSD) images and VASP-generated parameters into the phase field module to simulate intra- and intergranular transport of hydrogen in ZrHx and YHx. Future research will extend our approach to fuel-moderator materials systems such as Uranium-Yttrium Hydride (U-YHx). This work contributes to the development of advanced nuclear energy solutions for space travel.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Extracting the distribution amplitude of light pseudoscalar mesons using the HOPE method

The pseudoscalar meson light-cone distribution amplitudes (LCDAs) are essential non-perturbative inputs for a range of high-energy exclusive processes in quantum chromodynamics. In this proceedings, progress towards a determination of the low Mellin moments of the pion and kaon LCDAs by the HOPE Collaboration is reported.

Chang, Alex [National Yang Ming Chiao Tung Univers↗
NASA NTRS1974

The Penn State ORSER system for processing and analyzing ERTS and other MSS data

The author has identified the following significant results. The office for Remote Sensing of Earth Resources (ORSER) of the Space Science and Engineering Laboratory at the Pennsylvania State University has developed an extensive operational system for processing and analyzing ERTS-1 and similar multispectral data. The ORSER system was developed for use by a wide variety of researchers working in remote sensing. Both photointerpretive techniques and automatic computer processing methods have been developed and used, separately and in a combined approach. A remote Job Entry system permits use of an IBM 370/168 computer from any compatible remote terminal, including equipment tied in by long distance telephone connections. An elementary cost analysis has been prepared for the processing of ERTS data.

Mcmurtry, G. J.↗
NASA NTRS1974

The Penn State ORSER system for processing and analyzing ERTS and other MSS data

The Office for Remote Sensing of Earth Resources (ORSER) of the Space Science and Engineering Laboratory (SSEL) at the Pennsylvania State University has developed an extensive operational system for processing and analyzing ERTS-1 and similar multispectral data. The ORSER system was developed for use by a wide variety of researchers working in remote sensing. Both photointerpretive techniques and automatic computer processing methods have been developed and used, separately and in a combined approach. A Remote Job Entry (RJE) system permits use of an IBM 370/168 computer from any compatible remote terminal, including equipment tied in by long-distance telephone connections. An elementary cost analysis has been prepared for the processing of ERTS data.

Mcmurtry, G. J.↗
DOE OSTI2025

Baryon number violation: from nuclear matrix elements to BSM physics

Processes that violate baryon number, most notably proton decay and $n\bar{n}$ transitions, are promising probes of physics beyond the Standard Model (BSM) needed to understand the lack of antimatter in the Universe. To interpret current and forthcoming experimental limits, theory input from nuclear matrix elements to UV complete models enters. Thus, an interplay of experiment, effective field theory, lattice QCD, and BSM model building is required to develop strategies to accurately extract information from current and future data and maximize the impact and sensitivity of next-generation experiments. Here, we briefly summarize the main results and discussions from the workshop ‘INT-25-91W: Baryon Number Violation: From Nuclear Matrix Elements to BSM Physics,’ held at the Institute for Nuclear Theory, University of Washington, Seattle, WA, 13–17 January 2025.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Aspen Open Jets: unlocking LHC data for foundation models in particle physics

Foundation models are deep learning models pre-trained on large amounts of data which are capable of generalizing to multiple datasets and/or downstream tasks. This work demonstrates how data collected by the CMS experiment at the Large Hadron Collider can be useful in pre-training foundation models for HEP. Specifically, we introduce the AspenOpenJets (AOJs) dataset, consisting of approximately 178 M high p T jets derived from CMS 2016 Open Data. We show how pre-training the OmniJet-α foundation model on AOJs improves performance on generative tasks with significant domain shift: generating boosted top and QCD jets from the simulated JetClass dataset. In addition to demonstrating the power of pre-training of a jet-based foundation model on actual proton–proton collision data, we provide the ML-ready derived AOJs dataset for further public use.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Ultrafast jet classification at the HL-LHC

Abstract Three machine learning models are used to perform jet origin classification. These models are optimized for deployment on a field-programmable gate array device. In this context, we demonstrate how latency and resource consumption scale with the input size and choice of algorithm. Moreover, the models proposed here are designed to work on the type of data and under the foreseen conditions at the CERN large hadron collider during its high-luminosity phase. Through quantization-aware training and efficient synthetization for a specific field programmable gate array, we show that O ( 100 ) ns inference of complex architectures such as Deep Sets and Interaction Networks is feasible at a relatively low computational resource cost.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Toward a microscopic picture of hadronization and multi-parton processes

This project advanced the understanding of how quarks and gluons produced in high-energy collisions transform into the hadrons observed in particle detectors, a fundamental process known as quantum chromodynamics (QCD) hadronization. By combining theoretical calculations, quantum simulation methods, and modern AI techniques, the research developed new tools to study multi-parton dynamics and nonperturbative effects that are essential for interpreting data from current and future nuclear physics experiments. Key outcomes include new theoretical frameworks for jet and hadron measurements, pioneering quantum simulation algorithms for real-time dynamics in field theories, and the development of advanced machine-learning models, such as diffusion models and explainable classifiers, to simulate and analyze collider events. These results are directly relevant to experiments at Jefferson Lab, Brookhaven National Laboratory, and the future Electron-Ion Collider, and they also have a broader impact in areas such as quantum information science and data-driven modeling of complex systems. The project supported the training of graduate students and postdoctoral fellows and contributed to the broader scientific community through publications, workshops, and collaborative activities. Overall, this work provides new insights into the microscopic mechanisms of hadron formation and establishes a foundation for future studies at the intersection of nuclear physics, artificial intelligence, and quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Machine Learning-Based Extreme Data Reduction for Prompt Supernova Pointing at DUNE

One of the goals of the Deep Underground Neutrino Experiment (DUNE) is to use the massive underground liquid argon time projection chamber (LArTPC) detectors at its far site for multimessenger astronomy (MMA), in the detection of neutrinos from core-collapse supernovae (SNe). Its current baseline trigger strategy detects activity in the detector that is consistent with supernova (SN) neutrinos and saves the raw data for further offline analysis but provides no prompt pointing information crucial for optical follow-ups by other observatories. This approach is based on the assumption that prompt pointing determination using raw data is computationally prohibitive. In this article, we demonstrate a proof-of-concept based on applying extreme data reduction on the buffered SN data in the DUNE data acquisition (DAQ) system’s front-end computers using a machine learning (ML) workflow. This reduces the data by ~5 orders of magnitude, allowing a full track reconstruction to be carried out quickly on a single server. The total time to perform the ML-based data reduction and the full track reconstruction is less than the time to transfer the SN data back to Fermilab or a high-performance computing (HPC) center. This shows that prompt processing of raw SN data is possible and, in fact, trivial once the data have been reduced to reject radiological backgrounds, paving the way to a high-quality SN pointing trigger that is based on fully reconstructed data instead of trigger primitives (TPs).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Identification of Solid-Electrolyte Interphase Species by Joint Characterization of Li-Ion Battery Chemistry by Mass Spectrometry and Electrochemical Reaction Networks

The formation and stability of the solid-electrolyte interphase (SEI) play central roles in determining the long-term performance and safety of modern electrochemical energy storage systems. Despite decades of research, the SEI’s heterogeneous, dynamic, and multiphase nature has defied comprehensive molecular-level characterization, creating a critical knowledge gap that limits rational battery design. In this work, we introduce a computational−experimental framework that integrates high-throughput quantum chemistry calculations, data-driven electrochemical reaction networks (eCRNs), stochastic algorithms, and laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry (LDI-FTICR-MS) to unravel SEI formation in carbonatebased electrolytes without imposing predefined mechanisms. We constructed the most comprehensive eCRN to date, spanning over 10,000 species and 209 million reactions. Through stochastic network analysis, we successfully recovered 27 species that were previously reported in the literature and predicted 28 novel SEI species nearly doubling our scientific knowledge in this area. Each new species was rigorously confirmed through advanced mass spectral analysis of its distinct molecular and isotopic signatures. We kinetically refined the formation pathways for a select set of both previously reported and novel SEI products, revealing kinetically feasible elementary reaction mechanisms with activation barriers below 1 eV. This computational−experimental approach deepens our molecular-level understanding of SEI chemistry by resolving which species form and through which decomposition mechanisms they emerge. Such knowledge provides the foundation necessary to connect electrolyte composition to the resulting SEI components, a critical step toward a more informed electrolyte development in next-generation lithium-based batteries.

25 ENERGY STORAGE↗