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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Spiner-EOSPAC Comparison: performance and accuracy on Power9 CPU and GPU

The goal of this report is to concisely compare EOSPAC to Spiner EOS for a selection of commonly-used materials over as much of their domain as is possible. Importantly, this comparison does not address the way that the Euler equations may amplify interpolation errors and we take as given that the rational function interpolator gives the best possible representation of the EOS represented by the Sesame data. Neither does the report address all, or even majority of, the capabilities of each code nor does it explore performance or accuracy over multiple compilers and platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Oak Ridge National Laboratory's Strategic Research and Development Insights for Digital Twins

Oak Ridge National Laboratory (ORNL) is pleased to provide our response to the NITRD RFI on Digital Twins Research and Development. Digital twins are virtual representations of physical systems, leveraging real-time data to simulate and predict behaviors. ORNL is advancing digital twin technology across various disciplines, including neutron scattering, networking, science ecosystems, supercomputing, secure facilities, mobility technologies, materials design and discovery, power systems, fusion reactors, biological sciences, and earth observation. These efforts aim to enhance scientific research, operational efficiency, and decision-making processes. ORNL facilities, such as the High Flux Isotope Reactor (HFIR), Grid-C, Spallation Neutron Source (SNS), and Oak Ridge Leadership Computing Facility (OLCF), provide the infrastructure to develop and demonstrate these digital twin technologies. In this document, we lay out key challenges, research gaps, and future opportunities based on our experience with digital twins that aim to serve as useful contributions towards a National Digital Twins R&D Strategic Plan. In the remaining document, we address nine of the thirteen topic areas specified in the RFI.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

On the Prospect of Chemically Transferable Coarse-Grained Electronic Models for Soft Materials

Electronic coarse-graining (ECG) methods predict quantum-mechanical electronic properties directly from coarse-grained (CG) molecular configurations, enabling electronic predictions at mesoscale length scales. Here, we present a diagnostic assessment of the feasibility of chemically transferable ECG models across a broad polymer-relevant chemical space using all-atom, united-atom, and Martini-scale representations. While high-resolution ECG models achieve near-quantitative accuracy, we show that chemically transferable ECG at the Martini resolution fails because the CG force field does not sample the same configurational distribution of local molecular structure as that underlying the DFT-parameterized ECG model. We demonstrate that our proposed Element-Count-Label (ECL) representation, which augments Martini beads with explicit stoichiometric data, significantly improves chemical generalization across diverse polymer chemistries. However, we find that even with improved chemical resolution, the model cannot recover electronic property distributions that are absent from the configurational space sampled by the CG force field. These results demonstrate that chemically transferable ECG requires future Martini-like force fields to explicitly preserve quantum chemistry–compatible local molecular structure in addition to thermodynamic and structural fidelity.

Kidder, Katherine M [Department of Chemistry; Univ↗
DOE OSTI2025

FM4NPP: A Scaling Foundation Model for Nuclear and Particle Physics

Large language models have revolutionized artificial intelligence by enabling large, generalizable models trained through self-supervision. This paradigm has inspired the development of scientific foundation models (FMs). However, applying this capability to experimental particle physics is challenging due to the sparse, spatially distributed nature of detector data, which differs dramatically from natural language. This work addresses if an FM for particle physics can scale and generalize across diverse tasks. We introduce a new dataset with more than 11 million particle collision events and a suite of downstream tasks and labeled data for evaluation. We propose a novel self-supervised training method for detector data and demonstrate its neural scalability with models that feature up to 188 million parameters. With frozen weights and task-specific adapters, this FM consistently outperforms baseline models across all downstream tasks. The performance also exhibits robust data-efficient adaptation. Further analysis reveals that the representations extracted by the FM are task-agnostic but can be specialized via a single linear mapping for different downstream tasks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1971

An equation of state for oxygen and nitrogen

Preliminary equations of state are presented for oxygen and nitrogen which provide accurate representations of the available P-density-T data for both fluids. The equation for nitrogen is applicable for temperatures from 70 K to 1300 K at pressures to 10,000 atmospheres, and the equation for oxygen for temperatures from 70 K to 323 K at pressures to 350 atmospheres. Deviations of calculated densities from representative experimental data are included. A volume-explicit equation of state for oxygen to be used in estimating density values in the range of applicability of the equation of state is also presented.

Stewart, R. B.↗
NASA NTRS1973

Direct integration transmittance model

A transmittance model was developed for the 200-2000/cm region for interpretation of high spectral resolution measurements of laboratory absorption and of planetary thermal emission. The high spectral resolution requires transmittances to be computed monochromatically by summing the contribution of individual molecular absorption lines. A magnetic tape atlas of H2O,O3, and CO2 molecular line parameters serves as input to the transmittance model with simple empirical representations used for continuum regions wherever suitable laboratory data exist. The theoretical formulation of the transmittance model and the computational procedures used for the evaluation of the transmittances are discussed. Application is demonstrated of the model to several homogenous path laboratory absorption examples.

Kunde, V. G.↗
NASA NTRS1974

Direct integration transmittance model

A transmittance model has been developed for interpretation of high spectral resolution measurements of laboratory absorption and of planetary thermal emission. The high spectral resolution requires transmittances to be computed monochromatically by summing the contribution of individual molecular absorption lines. A magnetic tape atlas of H2O, O3, and CO2 molecular line parameters serves as input to the transmittance model with simple empirical representations used for continuum regions wherever suitable laboratory data exist. The theoretical formulation of the transmittance model and the computational procedures used for the evaluation of the transmittances are discussed, and application of the model to several homogeneous-path laboratory absorption examples is demonstrated.

Kunde, V. G.↗
NASA NTRS1975

Bioelectric signal analysis and measurement

Nonstationary time series techniques are used to analyze EEG signals for the estimation of alertness. A time varying order is extracted in sequential time series measurement of these data and strategies are devised for obtaining optimal representation of the EEG signal.

Lai, D. C.↗
NASA NTRS1975

Method of representation of acoustic spectra and reflection corrections applied to externally blown flap noise

A computer method for obtaining a rational function representation of an acoustic spectrum and for correcting reflection effects is introduced. The functional representation provides a means of compact storage of data and the nucleus of the data analysis method. The method is applied to noise from a full-scale externally blown flap system with a quiet 6:1 bypass ratio turbofan engine and a three-flap wing section designed to simulate the take-off condition of a conceptual STOL aircraft.

Miles, J. H.↗
NASA NTRS1979

Synthesis of rotor test data for real-time simulation

A mathematical model of a hingeless tilting rotor is presented. The model was obtained by a systematic curve fit procedure applied to an extensive set of model scale wind tunnel data. The math model equations were used in a real time flight simulation model of a hingeless tilt rotor XV-15 to assess changes in flying qualities compared to those obtained using a previous rotor model. Extensive plots of the rotor derivatives are given. Discussions of attempts to apply multivariable linear regression technqiues to the data and the use of an analytical rotor representation are included.

Mcveigh, M. A.↗
NASA NTRS1980

Prediction of sound radiated from different practical jet engine inlets

Existing computer codes for calculating the far field radiation patterns surrounding various practical jet engine inlet configurations under different excitation conditions were upgraded. The computer codes were refined and expanded so that they are now more efficient computationally by a factor of about three and they are now capable of producing accurate results up to nondimensional wave numbers of twenty. Computer programs were also developed to help generate accurate geometrical representations of the inlets to be investigated. This data is required as input for the computer programs which calculate the sound fields. This new geometry generating computer program considerably reduces the time required to generate the input data which was one of the most time consuming steps in the process. The results of sample runs using the NASA-Lewis QCSEE inlet are presented and comparison of run times and accuracy are made between the old and upgraded computer codes. The overall accuracy of the computations is determined by comparison of the results of the computations with simple source solutions.

Zinn, B. T.↗
NASA NTRS1983

Building an information model (with the help of PSL/PSA)

Problem Statement Language/Problem Statement Analyzer (PSL/PSA) applications, which were once a one-step process in which product system information was immediately translated into PSL statements, have in light of experience been shown to result in inconsistent representations. These shortcomings have prompted the development of an intermediate step, designated the Product System Information Model (PSIM), which provides a basis for the mutual understanding of customer terminology and the formal, conceptual representation of that product system in a PSA data base. The PSIM is initially captured as a paper diagram, followed by formal capture in the PSL/PSA data base.

Callender, E. D.↗
NASA NTRS1987

Qualitative and temporal reasoning in engine behavior analysis

Numerical simulation models, engine experts, and experimental data are used to generate qualitative and temporal representations of abnormal engine behavior. Engine parameters monitored during operation are used to generate qualitative and temporal representations of actual engine behavior. Similarities between the representations of failure scenarios and the actual engine behavior are used to diagnose fault conditions which have already occurred, or are about to occur; to increase the surveillance by the monitoring system of relevant engine parameters; and to predict likely future engine behavior.

Dietz, W. E.↗
NASA NTRS1988

Modeling effects on the prediction of aerodynamic performance of a double-delta wing

A numerical investigation is undertaken of an 80/65-deg double-delta flat wing by means of the free vortex sheet method that views the vortex system on the leading edge in three different ways, in order to assess the effect of the model's type on the aerodynamic performance of the wing. The model employing two separate vortex systems, one each on inward and outward leading edges, yields predictions that are in close agreement with experimental data, although the model with single-vortex representation is adequate and requires less computational time.

Reddy, C. S.↗
NASA NTRS1988

Investigations into the shape-preserving interpolants using symbolic computation

Shape representation is a central issue in computer graphics and computer-aided geometric design. Many physical phenomena involve curves and surfaces that are monotone (in some directions) or are convex. The corresponding representation problem is given some monotone or convex data, and a monotone or convex interpolant is found. Standard interpolants need not be monotone or convex even though they may match monotone or convex data. Most of the methods of investigation of this problem involve the utilization of quadratic splines or Hermite polynomials. In this investigation, a similar approach is adopted. These methods require derivative information at the given data points. The key to the problem is the selection of the derivative values to be assigned to the given data points. Schemes for choosing derivatives were examined. Along the way, fitting given data points by a conic section has also been investigated as part of the effort to study shape-preserving quadratic splines.

Lam, Maria↗
NASA NTRS1991

Formulation of the linear model from the nonlinear simulation for the F18 HARV

The F-18 HARV is a modified F-18 Aircraft which is capable of flying in the post-stall regime in order to achieve superagility. The onset of aerodynamic stall, and continued into the post-stall region, is characterized by nonlinearities in the aerodynamic coefficients. These aerodynamic coefficients are not expressed as analytic functions, but rather in the form of tabular data. The nonlinearities in the aerodynamic coefficients yield a nonlinear model of the aircraft's dynamics. Nonlinear system theory has made many advances, but this area is not sufficiently developed to allow its application to this problem, since many of the theorems are existance theorems and that the systems are composed of analytic functions. Thus, the feedback matrices and the state estimators are obtained from linear system theory techniques. It is important, in order to obtain the correct feedback matrices and state estimators, that the linear description of the nonlinear flight dynamics be as accurate as possible. A nonlinear simulation is run under the Advanced Continuous Simulation Language (ACSL). The ACSL simulation uses FORTRAN subroutines to interface to the look-up tables for the aerodynamic data. ACSL has commands to form the linear representation for the system. Other aspects of this investigation are discussed.

Hall, Charles E., Jr.↗
NASA NTRS1992

Use of cyclic current reversal polarization voltammetry for investigating the relationship between corrosion resistance and heat-treatment induced variations in microstructures of 400 C martensitic stainless steels

Software for running a cyclic current reversal polarization voltammagram has been developed for use with a EG&G Princeton Applied Research Model 273 potentiostat/galvanostat system. The program, which controls the magnitude, direction and duration of an impressed galvanostatic current, will produce data in ASCII spreadsheets (Lotus, Quattro) for graphical representation of CCRPV voltammograms. The program was used to determine differences in corrosion resistance of 440 C martenstic stainless steel produced as a result of changes in microstructure effected by tempering. It was determined that tempering at all temperatures above 400 F resulted in increased polarizability of the material, with the increased likelihood that pitting would be initiated upon exposure to marine environments. These results will be used in development of remedial procedures for lowering the susceptibility of these alloys toward the stress corrosion cracking experienced in bearings used in high pressure oxygen turbopumps used in the main engines of space shuttle orbiters.

Ambrose, John R.↗
NASA NTRS1992

Information compression in the context model

The Context Model provides a formal framework for the representation, interpretation, and analysis of vague and uncertain data. The clear semantics of the underlying concepts make it feasible to compare well-known approaches to the modeling of imperfect knowledge like that given in Bayes Theory, Shafer's Evidence Theory, the Transferable Belief Model, and Possibility Theory. In this paper we present the basic ideas of the Context Model and show its applicability as an alternative foundation of Possibility Theory and the epistemic view of fuzzy sets.

Gebhardt, Joerg↗