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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Generative Models for Crystalline Materials

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and accelerating materials discovery. Early ML approaches primarily focused on constructing and screening large material spaces to identify promising candidates for various applications. More recently, research efforts have increasingly shifted toward generating crystal structures using end-to-end generative models. This review analyzes the current state of generative modeling for crystal structure prediction and de novo generation. It examines crystal representations, outlines the generative models used to design crystal structures, and evaluates their respective strengths and limitations. Furthermore, the review highlights experimental considerations for evaluating generated structures and provides recommendations for suitable existing software tools. Emerging topics, such as modeling disorder and defects, integration in advanced characterization, incorporating synthetic feasibility constraints, and model explainability are explored. Ultimately, this work aims to inform both experimental scientists looking to adapt suitable ML models to their specific circumstances and ML specialists seeking to understand the unique challenges related to inverse materials design and discovery.

Metni, Houssam [Karlsruhe Inst. of Technology (KIT↗
NASA NTRS1993

Next generation system modeling of NTR systems

The topics are presented in viewgraph form and include the following: nuclear thermal rocket (NTR) modeling challenges; current approaches; shortcomings of current analysis method; future needs; and present steps to these goals.

Buksa, John J.↗
DOE OSTI2022

Slip velocity boundary conditions for the lattice Boltzmann modeling of microchannel flows

Abstract Slip flows in ducts are important in numerous engineering applications, most notably in microchannel flows. Compared to the standard no‐slip Dirichlet condition, the case of slip formulates as a Robin‐type condition for the fluid tangential velocity. Such an increase in mathematical complexity is accompanied by a more challenging numerical transcription. The present work concerns with this topic, addressing the modeling of the slip velocity boundary condition in the lattice Boltzmann method (LBM) applied to steady slow viscous flows inside ducts of nontrivial shapes. As novelty, we extend the newly revised local second‐order boundary (LSOB) Dirichlet fluid flow method [ Philos. Trans. R. Soc. A 378, 20190404 (2020)] to implement the slip velocity condition within the two‐relaxation‐time (TRT) framework. The LSOB follows an in‐node philosophy where its operation principle seeks to explicitly reconstruct the unknown boundary populations in the form of a third‐order accurate Chapman–Enskog expansion, where the wall slip condition is built‐in as a normal Taylor‐type condition. The key point of this approach is that the required first‐ and second‐order momentum derivatives, rather than computed through nonlocal finite difference approximations, are locally determined through a simple local linear algebra procedure, whose formulation is particularly aided by the TRT symmetry argument. To express the obtained derivatives, two approaches are considered, called and , which operate with node and wall variables, respectively. These two formulations are developed to prescribe the physical slip condition over plane and curved walls, including the corners. Their consistency and accuracy characteristics are examined against alternative linkwise strategies to impose the wall slip velocity, such as the kinetic‐based diffusive bounce‐back scheme, the central linear interpolation slip scheme, and the multireflection slip scheme. The several slip schemes are tested over different 3D microchannel configurations, with walls not conforming with the LBM uniform mesh. Numerical tests confirm the advanced accuracy characteristics of the proposed LSOB slip boundary scheme, revealing the added challenge of the wall slip modeling, and that parabolic accuracy is a necessary requirement to reach second‐order accuracy within this problem class.

Silva, Goncalo↗
NASA NTRS1993

Measurement and modeling of moist processes

The keynote talk summarized five years of work simulating observed mesoscale convective systems with the RAMS (Regional Atmospheric Modeling System) model. Excellent results are obtained when simulating squall line or other convective systems that are strongly forced by fronts or other lifting mechanisms. Less highly forced systems are difficult to model. The next topic in this colloquium was measurement of water vapor and other constituents of the hydrologic cycle. Impressive accuracy was shown measuring water vapor with both the airborne DIAL (Differential Absorption Lidar) system and the the ground-based Raman Lidar. NMC's plans for initializing land water hydrology in mesoscale models was presented before water vapor measurement concepts for GCIP were discussed. The subject of using satellite data to provide mesoscale moisture and wind analyses was next. Recent activities in modeling of moist processes in mesoscale systems was reported on. These modeling activities at the Canadian Atmospheric Environment Service (AES) used a hydrostatic, variable-resolution grid model. Next the spatial resolution effects of moisture budgets was discussed; in particular, the effects of temporal resolution on heat and moisture budgets for cumulus parameterization. The conclusion of this colloquium was on modeling scale interaction processes.

Cotton, William↗
NASA NTRS1993

The Third NASA Goddard Conference on Mass Storage Systems and Technologies

This report contains copies of nearly all of the technical papers and viewgraphs presented at the Goddard Conference on Mass Storage Systems and Technologies held in October 1993. The conference served as an informational exchange forum for topics primarily relating to the ingestion and management of massive amounts of data and the attendant problems involved. Discussion topics include the necessary use of computers in the solution of today's infinitely complex problems, the need for greatly increased storage densities in both optical and magnetic recording media, currently popular storage media and magnetic media storage risk factors, data archiving standards including a talk on the current status of the IEEE Storage Systems Reference Model (RM). Additional topics addressed System performance, data storage system concepts, communications technologies, data distribution systems, data compression, and error detection and correction.

Kobler, Benjamin↗
NASA NTRS2001

Verification and Validation of Model-Based Autonomous Systems

This paper presents a three year project (FY99 to FY01) on the verification and validation of model based autonomous systems. The topics include: 1) Project Profile; 2) Model-Based Autonomy; 3) The Livingstone MIR; 4) MPL2SMV; 5) Livingstone to SMV Translation; 6) Symbolic Model Checking; 7) From Livingstone Models to SMV Models; 8) Application In-Situ Propellant Production; 9) Closed-Loop Verification Principle; 10) Livingstone PathFinder (LPF); 11) Publications and Presentations; and 12) Future Directions. This paper is presented in viewgraph form.

Pecheur, Charles↗
NASA NTRS2005

A Model Based Mars Climate Database for the Mission Design

A viewgraph presentation on a model based climate database is shown. The topics include: 1) Why a model based climate database?; 2) Mars Climate Database v3.1 Who uses it ? (approx. 60 users!); 3) The new Mars Climate database MCD v4.0; 4) MCD v4.0: what's new ? 5) Simulation of Water ice clouds; 6) Simulation of Water ice cycle; 7) A new tool for surface pressure prediction; 8) Acces to the database MCD 4.0; 9) How to access the database; and 10) New web access

Source record↗
DOE OSTI2020

High-resolution Hindcasts for U.S. Wave Energy Resource Characterization

The marine and hydrokinetic (MHK) industry is at an early stage of development and has the potential to play a significant role in diversifying the U.S. energy portfolio and reducing the U.S. carbon footprint. Wave energy is the largest among all the U.S. MHK energy resources, which include wave energy, ocean current, tidal-instream, ocean thermal energy conversion, and river-instream. Wave resource characterization is an essential step for regional wave energy assessments, Wave Energy Converter (WEC) project development, site selection and WEC design. The present paper provides an overview of a joint modelling effort by the Pacific Northwest National Laboratory and Sandia National Laboratories on high-resolution wave hindcasts to support the U.S. Department of Energy’s Water Power Technologies Office’s program of wave resource characterization, assessment and classifications in all US coastal regions. Topics covered include the modelling approach, model input requirements, model validation strategies, high performance computing resource requirements, model outputs and data management strategies. Examples of model setup and validation for different regions are provided along with application to development of classification systems, and analysis of regional wave climates. Lessons learned and technical challenges of the long-term, high-resolution regional wave hindcast are discussed.

Yang, Zhaoqing↗
NASA NTRS2019

Orbital Debris Ontology, Terminology, and Knowledge Modeling

The looming threat orbital debris poses to assets in orbit demands solutions. As the orbital population grows, so does this hazard, but so does the sea of data. The problem is also an opportunity for interdisciplinary innovation and cooperation. This paper focuses on the data and information management aspect of developing solutions for a sustainable and safe orbital space environment. The corresponding author’s in-progress work to develop an orbital debris domain ontology is summarized in order to discuss knowledge modeling for this domain. Methodological approaches of this effort can also contribute to standards efforts and address terminological and policy questions. Leveraging the growing volumes of orbital debris and space situational awareness (SSA) data will create a more complete picture of the orbital space environment. Part of the solution will be: consistent and correct data interpretation, sharing orbital debris and SSA data in one form or another, terminology development & harmonization, and knowledge or domain modeling. To facilitate this, [Rovetto, 2015/16] discussed ontology development for the orbital debris domain. This paper lists concepts from that paper, and subsequently developed concepts [2-9]. Ontology engineering is an interdisciplinary field related to knowledge representation and reasoning in artificial intelligence, semantic technologies and the so-called semantic web. An ontology is effectively a computable and semantically rich terminology that presents a knowledge or domain model for a topic area. Expressions of knowledge or assertions are stored using formally defined term. This knowledge base is reasoned over to yield answers to queries, among other things. Ontologies have been developed in knowledge-based projects across various disciplines, and used for such things as search engines, chatbots, enterprise knowledge graphs, etc. Ontologies support: interoperability, automated reasoning, data sharing and integration, data search and retrieval, and communicating the meaning of data. The Orbital Debris Ontology (ODO), and related ontologies [Rovetto & Kelso 2016] [Rovetto 2016, 2017], were proposed to help achieve this. ODO, for instance, is intended as a domain ontology that can be used across federated databases, offering an explicitly specified set of concepts describing the orbital debris domain. Its meaning-rich taxonomy will provide a sharable semantics for orbital debris data to, in part, consistently communicate the meaning of data to both humans and machines, and tag data elements in space object catalogs to help afford inference tasks, decision support, knowledge discovery, and information integration. ODO and the SSA ontology (SSAO) is part of the overall Orbital Space Domain Ontology concept, which is conceived as a broader domain reference ontology. It aims to provide a knowledge representation structure of the orbital space environment, a common semantic model, and develop a sharable terminology. Collectively this will provide common meaning for datasets, a high-level taxonomy or classification for orbital space objects, and thus means to characterize space objects. Ongoing efforts have included using visualizations, R, JSON-LD, and contemporary semantic technologies. Potential applications and interdisciplinary partnerships include web-based platforms, web apps, visualizations, and academia projects. Community input and participation may yield a more widely understood domain model as well as facilitate terminological standards. For example, the proposed conceptual, terminological and ontological analysis may contribute to such efforts as the Space Debris Mitigation Requirements in the International Standards Organization by developing more precise, consistent and coherent terms and definitions. Projects that seek to develop in-house ontologies can use ODO and related ontologies as domain reference ontologies. This paper was developed independent of author affiliations. Readers are encouraged to contact corresponding author(1) with general interest and potential opportunities to support or realize the described project.

Robert J. Rovetto↗
DOE OSTI2021

How correlations change the magnetic structure factor of the kagome Hubbard model

The kagome Hubbard model (KHM) is a paradigmatic example of a frustrated two-dimensional model. While its strongly correlated regime, described by a Heisenberg model, is of topical interest due to its enigmatic prospective spin-liquid ground state, the weakly and moderately correlated regimes remain largely unexplored. Motivated by the rapidly growing number of metallic kagome materials (e.g., Mn 3 Sn, Fe 3 Sn 2 , FeSn, Co 3 Sn 2 S 2 , Gd 3 Ru 4 Al 12 , and AV 3 Sb 5 with A = K, Rb, Cs), here we study the respective regimes of the KHM by means of three complementary numerical methods: the dynamical mean-field theory, the dynamical vertex approximation, and determinant quantum Monte Carlo. In contrast to the archetypal square lattice, we find no tendencies toward magnetic ordering, as magnetic correlations remain short-range. Nevertheless, the magnetic correlations undergo a remarkable crossover as the system approaches the metal-to-insulator transition. The Mott transition itself does not affect the magnetic correlations. Our equal-time and dynamical structure factors can be used as a reference for inelastic neutron scattering experiments on the growing family of metallic kagome materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Particle physics using reactor antineutrinos

Nuclear reactors are uniquely powerful, abundant, and flavor-pure sources of antineutrinos that have played a central role in the discovery of the neutrinos and in elucidation of their properties. Further, this continues through a broad range of experiments investigating topics including Standard Model and short-baseline oscillations, beyond-the-Standard-Model physics searches, and reactor flux and spectrum modelling. This Report will survey the state of the reactor antineutrino physics field and summarize the ways in which current and future reactor antineutrino experiments can play a critical role in advancing the field of particle physics in the next decade.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Novel Modular Heat Engines with sCO 2 Bottoming Cycle Utilizing Advanced Oil-Free Turbomachinery

This report presents the thermal, mechanical, and electric machine design of a 27krpm rotating test rig aimed at reducing technical risks with hermetic oil-free super-critical carbon dioxide (sCO 2 ) turbomachinery. The test rig rotor system is based on a conceptual turbomachine design discussed that evaluates a sCO 2 waste heat recovery (WHR) unit for land-based gas turbines at natural gas (NG) compressor stations. The key novelty of the hermetic sCO 2 turbomachine concept is the utilization of additively manufactured CO 2 gas bearings and a CO 2 -immersed direct-drive permanent magnet (PM) electric machine. The previous effort on conceptual design identified 3 main technical risks, which included thrust bearing load capacity, rotordynamics, and thermal performance of the system. Therefore, key requirements of the test vehicle include the ability to test the rotor system in a 400psi (27.6 bar) hermetic CO 2 operating environment, apply up to 1,500 lbs (6.7 kN) of rotor thrust loads, capability to assess rotordynamics with radial gas bearings, inclusion of instrumentation to assess thrust bearing load capability, and flexibility for varying secondary cooling flows to confirm thermal model predictions. Design topics such as rotordynamics, bearing design, and electric machine design are addressed, while highlighting critical elements. In addition, additive build trials for Inconel 718 radial and thrust bearings were performed to prove the manufacturability of the bearing design concepts. The results of the design efforts yield a test rig concept with ability to operate at 27,000 rpm, apply thrust loads to 1,500 lbs, deliver CO 2 up to 800psi, and modulate cooling flows.

03 NATURAL GAS↗
NASA NTRS1979

Lunar and Planetary Science Conference, 10th, Houston, Tex., March 19-23, 1979, Proceedings. Volume 3 - Planetary interiors and surfaces

The areas covered on the present symposium include geophysical investigations based on laboratory and planetary measurements; impact and volcanic processes; and planetary surface features and processes. The topics discussed include models of an early lunar dynamo, parameterized convection within the moon and the terrestrial planets, the bounds of the heat production rate with the moon, the shock metamorphism of granulated lunar basalt, asymmetric terracing of lunar highland craters, large impact basins on Mercury, impact melting in early lunar history, and evidence for ancient mare volcanism.

Merrill, R. B.↗
NASA NTRS1983

Establishment of a center of excellence for applied mathematical and statistical research

The state of the art was assessed with regards to efforts in support of the crop production estimation problem and alternative generic proportion estimation techniques were investigated. Topics covered include modeling the greeness profile (Badhwarmos model), parameter estimation using mixture models such as CLASSY, and minimum distance estimation as an alternative to maximum likelihood estimation. Approaches to the problem of obtaining proportion estimates when the underlying distributions are asymmetric are examined including the properties of Weibull distribution.

Woodward, W. A.↗
NASA NTRS1985

Irregularities in the secular variation and geodynamic implications; Proceedings of the Session, Cincinnati, OH, May 17, 1984

Consideration is given to: variations in the Gauss coefficients of the geomagnetic potential over the last several hundred years; eccentric geomagnetic dipole drift; and evidence for geomagnetic jerks from 1931 to 1971. Among other topics discussed are: models of the geomagnetic field in western Europe from 1960 to 1980; the external and internal parts of the geomagnetic jerk of 1970; secular variation of the magnetic mean energy density at the source layer depth; and motions at the core surface in the geostrophic approximation. Consideration is also given to: the unpredictability of geomagnetic secular variation; the use of short-term core-mantle coupling and geomagnetic variation impulses as Lagrangian tracers of core motions; and a comparison of two sequential geomagnetic polarity transitions in the upper Olduvai and the lower Jarmillio in the Southern Hemisphere.

Taylor, P.↗
NASA NTRS1985

Advanced vehicle systems assessment. Volume 4: Supporting analyses

Volume 4 (Supporting Analyses) is part of a five-volume report, Advanced Vehicle Systems Assessment. Thirty-nine individuals, knowledgeable in advanced technology, were interviewed to obtain their preferences. Rankings were calculated for the eight groups they represented, using multiplicative and additive utility models. The four topics for consideration were: (1) preferred range for various battery technologies; (2) preferred battery technology for each of a variety of travel ranges; (3) most promising battery technology, vehicle range combination; and (4) comparison of the most preferred electric vehicle with the methanol-fuled, spark-ignition engine vehicle and with the most preferred of the hybrid vehicles.

Hardy, K.↗