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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

FAIR Surrogate Benchmarks Supporting AI and Simulation Research (Final Report)

Computational Science is being revolutionized by integrating AI and simulation and, in particular, by deep learning surrogate models that can replace all or part of traditional large‐scale HPC computations. Such surrogates can achieve remarkable performance improvements, as much as several orders of magnitude, and save both compute time and energy. The Surrogate Benchmark Initiative (SBI) project creates a community repository and FAIR (Findable, Accessible, Interoperable, and Reusable) data ecosystem for HPC application surrogate benchmarks. The SBI team comes from Argonne National Laboratory (ANL), Indiana University (IU), Rutgers University, the University of Tennessee, Knoxville (UTK), and the University of Virginia (UVA). SBI repositories include data, code, and all relevant collateral artifacts that the science and engineering community need to use and reuse these data sets and surrogates. SBI repositories generate active research from both the participants in SBI and the broad community of AI and domain scientists. This project develops surrogates that use several different neural nets to learn and quickly infer the results of simulations and data systems and captures them as surrogate benchmarks with a rich set of metadata covering: Data; Model; Metrics specification; Machine specification; and Science, Speed, and Power Results. We research FAIR metadata for these benchmarks. We develop application surrogate examples as benchmarks across many fields (ANL, UTK, IU, UVA). We also study non-Surrogate benchmarks that have many common features and similar issues as regards FAIRness. We work with MLCommons (UVA, UTK), which is a major machine learning benchmarking activity where we get metadata ontologies, software, and benchmarks, Benchmarks have datasets, models, and metadata and they need a technical framework developed by UTK and Rutgers and deployed by UVA. We study features of Surrogates including performance, training set size, and uncertainty quantification (Rutgers, UVA and IU).

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1983

Dynamics of directional reflectance factor distributions for vegetation canopies

Directional reflectance factors that span the entire exitance hemisphere are collected on the ground for a variety of homogeneous vegetation canopies and bare soils. NOAA 6/7 AVHRR bands 1 (0.58-0.68 micron) and 2 (0.73-1.1 microns) are used. When possible, geometric measurements of leaf orientation distributions are taken simultaneously with each spectral measurement. Other supporting structural and optical measurements are made. These data sets are taken at various times of the day for each cover type. These unique sets, together with pertinent data in the literature, are used to investigate the dynamics of the directional reflectance factor distribution as a function of the geometric structure of the scene, solar zenith angle, and optical properties of the scene components (leaves and soil). For complete homogeneous vegetation canopies, the principal trend observed at all sun angles and spectral bands is a minimum reflectance near nadir and increasing reflectance with increasing off-nadir view angle for all azimuth directions.

Kimes, D. S.↗
NASA NTRS2000

SERM Forest Cover Data of Saskatchewan in Vector Format

This data set was acquired as a general provincial scale vegetation cover map and an alternative to the very detailed vector forest cover data available for the BOREAS SSA. The data set was prepared by SERM-FBIU, and is a condensed forest cover type map of Saskatchewan at a scale of 1:1,000,000. The date of the maps from which this data set was generated is unknown; it is estimated that the forest cover maps were made in the mid-1980s.

Nickeson, Jaime↗
DOE OSTI2015

Land carbon sequestration within the conterminous United States: Regional‐ and state‐level analyses

Abstract A quantitative understanding of the rate at which land ecosystems are sequestering or losing carbon at national‐, regional‐, and state‐level scales is needed to develop policies to mitigate climate change. In this study, a new improved historical land use and land cover change data set is developed and combined with a process‐based ecosystem model to estimate carbon sources and sinks in land ecosystems of the conterminous United States for the contemporary period of 2001–2005 and over the last three centuries. We estimate that land ecosystems in the conterminous United States sequestered 323 Tg C yr −1 at the beginning of the 21st century with forests accounting for 97% of this sink. This land carbon sink varied substantially across the conterminous United States, with the largest sinks occurring in the Southeast. Land sinks are large enough to completely compensate fossil fuel emissions in Maine and Mississippi, but nationally, carbon sinks compensate for only 20% of U.S. fossil fuel emissions. We find that regions that are currently large carbon sinks (e.g., Southeast) tend to have been large carbon sources over the longer historical period. Both the land use history and fate of harvested products can be important in determining a region's overall impact on the atmospheric carbon budget. While there are numerous options for reducing fossil fuels (e.g., increase efficiency and displacement by renewable resources), new land management opportunities for sequestering carbon need to be explored. Opportunities include reforestation and managing forest age structure. These opportunities will vary from state to state and over time across the United States.

Lu, Xiaoliang↗
DOE OSTI2012

Optimal Stopping with Information Constraint

We study the optimal stopping problem proposed by Dupuis and Wang (Adv. Appl. Probab. 34:141-157, 2002). In this maximization problem of the expected present value of the exercise payoff, the underlying dynamics follow a linear diffusion. The decision maker is not allowed to stop at any time she chooses but rather on the jump times of an independent Poisson process. Dupuis and Wang (Adv. Appl. Probab. 34:141-157, 2002), solve this problem in the case where the underlying is a geometric Brownian motion and the payoff function is of American call option type. In the current study, we propose a mild set of conditions (covering the setup of Dupuis and Wang in Adv. Appl. Probab. 34:141-157, 2002) on both the underlying and the payoff and build and use a Markovian apparatus based on the Bellman principle of optimality to solve the problem under these conditions. We also discuss the interpretation of this model as optimal timing of an irreversible investment decision under an exogenous information constraint.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Coherent J/ψ photoproduction at midrapidity in Pb – Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

The coherent J∕𝜓 photoproduction cross section is measured for the first time at midrapidity in peripheral to semicentral P b − P b collisions at $\sqrt{s_{NN}}$ = 5.02 TeV. The centrality differential cross section d 𝜎 ∕d𝑦 is reported for the centrality range 40–90%, together with the doubly-differential cross section d 2 𝜎∕d𝑦d𝑝 T , extracted in two peripheral centrality classes. The J∕𝜓 mesons are reconstructed in the dielectron channel, in the rapidity interval |𝑦| < 0.9 using the ALICE central barrel detectors. The J∕𝜓 cross section at midrapidity is statistically compatible to the earlier ALICE measurement at forward rapidity and at the same centre-of-mass energy, and shows only a mild centrality dependence over the covered range. Several sets of theoretical calculations taking into account the hadronic overlap in the collisions but ignoring possible final-state effects from a hot expanding medium are found to give a fairly good description of the current measurements within uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Macrophase Separation of Blends of Diblock Copolymers in Thin Films

In this work, Symmetric poly(styrene-b-methyl methacrylate) block copolymers (BCP) with total molecular weights of 129–412 kg/mol were blended with a symmetric 44 kg/mol BCP. This set of polymers covers the parameter space of molecular weight ratios of the large vs small BCP in the pair, R = M n,L /M n,S from 2.9 to 9.4. The blends macrophase separate into a nearly pure small period phase and a blended large period phase when R is greater than 5. The influence of film confinement on the phase behavior of these blends was analyzed by comparing the morphology within films on nonpreferential substrates and bulk samples using scanning electron microscopy and X-ray scatterning techniques. In the thin film, the large period phase has approximately equal volume fraction of the high and low molecular weight BCP, but in the bulk, the large period phase is more concentrated with the high molecular weight BCP. This difference in the saturation composition not only narrows the composition window for macrophase separation but also results in a 12% decrease of the large saturated period in the thin film compared to the bulk behavior of the same polymer blend. The period of the small period phase in all macrophase separating blends is comparable to that of the pure short BCP. When both phases are present, the quantity of each phase is described by the lever rule. Furthermore, when the molecular weight ratio is near the critical molecular weight ratio for macrophase separation, the blends have a transition behavior that has similarities to both the miscible and macrophase separating systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Multi-component modeling of quasielastic neutron scattering from phospholipid membranes

We investigated molecular motions in the 0.3–350 ps time range of D{sub 2}O-hydrated bilayers of 1-palmitoyl-oleoyl-sn-glycero-phosphocholine and 1,2-dimyristoyl-sn-glycero-phosphocholine in the liquid phase by quasielastic neutron scattering. Model analysis of sets of spectra covering scale lengths from 4.8 to 30 Å revealed the presence of three types of motion taking place on well-separated time scales: (i) slow diffusion of the whole phospholipid molecules in a confined cylindrical region; (ii) conformational motion of the phospholipid chains; and (iii) fast uniaxial rotation of the hydrogen atoms around their carbon atoms. Based on theoretical models for the hydrogen dynamics in phospholipids, the spatial extent of these motions was analysed in detail and the results were compared with existing literature data. The complex dynamics of protons was described in terms of elemental dynamical processes involving different parts of the phospholipid chain on whose motions the hydrogen atoms ride.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Path-integral and Ornstein-Zernike study of quantum fluid structures on the crystallization line

Liquid neon, liquid para-hydrogen, and the quantum hard-sphere fluid are studied with path integral Monte Carlo simulations and the Ornstein-Zernike pair equation on their respective crystallization lines. The results cover the whole sets of structures in the r-space and the k-space and, for completeness, the internal energies, pressures and isothermal compressibilities. Comparison with experiment is made wherever possible, and the possibilities of establishing k-space criteria for quantum crystallization based on the path-integral centroids are discussed. In this regard, the results show that the centroid structure factor contains two significant parameters related to its main peak features (amplitude and shape) that can be useful to characterize freezing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

X-RAY REFLECTED SPECTRA FROM ACCRETION DISK MODELS. II. DIAGNOSTIC TOOLS FOR X-RAY OBSERVATIONS

We present a comprehensive study of the emission spectra from accreting sources. We use our new reflection code to compute the reflected spectra from an accretion disk illuminated by X-rays. This set of models covers different values of ionization parameter, solar iron abundance, and photon index for the illuminating spectrum. These models also include the most complete and recent atomic data for the inner shell of the iron and oxygen isonuclear sequences. We concentrate our analysis on the 2-10 keV energy region and in particular on the iron K-shell emission lines. We show the dependency of the equivalent width (EW) of the Fe K{alpha} on the ionization parameter. The maximum value of the EW is {approx}800 eV for models with log {xi} {approx} 1.5 and decreases monotonically as {xi} increases. For lower values of {xi}, the Fe K{alpha} EW decreases to a minimum near log {xi} {approx} 0.8. We produce simulated CCD observations based on our reflection models. For low-ionized, reflection-dominated cases, the 2-10 keV energy region shows a very broad, curving continuum that cannot be represented by a simple power law. We show that in addition to the Fe K-shell emission, there are other prominent features such as the Si and S L{alpha} lines, a blend of Ar VIII-XI lines, and the Ca X K{alpha} line. In some cases, the S XV blends with the He-like Si radiative recombination continua producing a broad feature that cannot be reproduced by a simple Gaussian profile. This could be used as a signature of reflection.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ON THE EVOLUTIONARY AND PULSATION MASS OF CLASSICAL CEPHEIDS. III. THE CASE OF THE ECLIPSING BINARY CEPHEID CEP0227 IN THE LARGE MAGELLANIC CLOUD

We present a new Bayesian approach to constrain the intrinsic parameters (stellar mass and age) of the eclipsing binary system-CEP0227-in the Large Magellanic Cloud (LMC). We computed several sets of evolutionary models covering a broad range in chemical compositions and in stellar mass. Independent sets of models were also constructed either by neglecting or by including a moderate convective core overshooting ({beta}{sub ov} = 0.2) during central hydrogen-burning phases. Sets of models were also constructed either by neglecting or by assuming a canonical ({eta} = 0.4, 0.8) or an enhanced ({eta} = 4) mass-loss rate. The most probable solutions were computed in three different planes: luminosity-temperature, mass-radius, and gravity-temperature. By using the Bayes factor, we found that the most probable solutions were obtained in the gravity-temperature plane with a Gaussian mass prior distribution. The evolutionary models constructed by assuming a moderate convective core overshooting ({beta}{sub ov} = 0.2) and a canonical mass-loss rate ({eta} = 0.4) give stellar masses for the primary (Cepheid)-M = 4.14{sup +0.04}{sub -0.05} M{sub Sun }-and for the secondary-M = 4.15{sup +0.04}{sub -0.05} M{sub Sun }-that agree at the 1% level with dynamical measurements. Moreover, we found ages for the two components and for the combined system-t = 151{sup +4}{sub -3} Myr-that agree at the 5% level. The solutions based on evolutionary models that neglect the mass loss attain similar parameters, while those ones based on models that either account for an enhanced mass loss or neglect convective core overshooting have lower Bayes factors and larger confidence intervals. The dependence on the mass-loss rate might be the consequence of the crude approximation we use to mimic this phenomenon. By using the isochrone of the most probable solution and a Gaussian prior on the LMC distance, we found a true distance modulus-18.53{sup +0.02}{sub -0.02} mag-and a reddening value-E(B - V) = 0.142{sup +0.005}{sub -0.010} mag-that agree quite well with similar estimates in the literature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Can CMB data constrain the inflationary field range?

We study to what extent the spectral index n{sub s} and the tensor-to-scalar ratio r determine the field excursion Δφ during inflation. We analyse the possible degeneracy of Δ φ by comparing three broad classes of inflationary models, with different dependence on the number of e-foldings N, to benchmark models of chaotic inflation with monomial potentials. The classes discussed cover a large set of inflationary single field models. We find that the field range is not uniquely determined for any value of (n{sub s}, r); one can have the same predictions as chaotic inflation and a very different Δ φ. Intriguingly, we find that the field range cannot exceed an upper bound that appears in different classes of models. Finally, Δ φ can even become sub-Planckian, but this requires to go beyond the single-field slow-roll paradigm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The satellite population around luminous red galaxies in the 25 deg2 DESI Legacy Imaging Surveys Early Data Release

ABSTRACT Luminous red galaxies, or LRGs, are representative of the most massive galaxies and were originally selected in the Sloan Digital Sky Survey as good tracers of large-scale structure. They are dominated by by uniformly old stellar populations, have low star formation rates, early type morphologies, and little cold gas. Despite having old stellar populations and little in situ star formation, studies have shown that they have grown their stellar mass since z = 1, implying that they grow predominantly via the accretion of satellites. Tests of this picture have been limited because of the lack of deep imaging data sets that both covers a large enough area of the sky to contain substantial numbers of LRGs and that also is deep enough to detect faint satellites. We use the 25 deg2 Early Data Release (EDR) of the DESI Legacy Imaging Surveys to characterize the satellite galaxy population of LRGs out to z = 0.65. The DESI Legacy Imaging Surveys are comprised of grz imaging to 2–2.5 mag deeper than SDSS and with better image quality. We use a new statistical background technique to identify excess populations of putative satellite galaxies around 1823 LRGs at 0.2 < z < 0.65. In three redshift and luminosity bins we measure the numbers of satellite galaxies and their r−z colour distribution down to rest-frame g-band luminosity limits at least 3.6 times fainter than L*. In addition, we develop a forward modeling technique and apply it to constrain the mean number of satellites in each of our redshift and luminosity bins. Finally, we use these estimates to determine the amount of stellar mass growth in LRGs down to the local Universe.

Astronomy & Astrophysics↗
DOE OSTI2017

Angle-Selective Reflective Filters for Exclusion of Background Thermal Emission

Selective filtering of spectral and angular optical transmission has recently attracted a great deal of interest. While optical passband and stop-band spectral filters are already widely used, angle-selective transmission and reflection filtering represents a less than fully explored alternative. Nonetheless, this approach can be promising for several applications, including stray radiation minimization and background emission exclusion. In this work, a concept for angle-selective reflection filtering using guided-mode resonance coupling is proposed. Although guided-mode resonance structures are already used for spectral filtering, in this work, a variation of angle-selective reflection filtering using guided-mode resonance coupling is proposed. We investigate angle-dependent properties of such structures for potential use as angle-selective reflective filters. Furthermore, we utilize interference between diffraction modes to provide tunable selectivity with a sufficient angular width. Combining these structures with thermal emitters can exclude selected emission angles for spatially selective thermal emissivity reduction toward sensitive targets, as well as directionally selective emissivity exclusion for suppression of solar heating. We show a very large selective reduction of heat exchange by 99.77% between an engineered emitter and a distant receiver using just a single-groove grating and an emitting substrate in the emitter’s side. Also, we show a selective reduction of heat exchange by approximately 77% between an emitter covered by engineered sets of angle-selective reflective filters and a nearby sensitive target. The suggested angle-selective structure may have applications in excluding background thermal radiation, in particular, thermal emission reduction for daytime radiative cooling, sensitive IR telescope detectors, and high-fidelity thermoluminescent spectroscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Resimulation-based self-supervised learning for pretraining physics foundation models

Self-supervised learning (SSL) is at the core of training modern large machine learning models, providing a scheme for learning powerful representations that can be used in a variety of downstream tasks. However, SSL strategies must be adapted to the type of training data and downstream tasks required. We propose resimulation-based self-supervised representation learning (RS3L), a novel simulation-based SSL strategy that employs a method of resimulation to drive data augmentation for contrastive learning in the physical sciences, particularly, in fields that rely on stochastic simulators. By intervening in the middle of the simulation process and rerunning simulation components downstream of the intervention, we generate multiple realizations of an event, thus producing a set of augmentations covering all physics-driven variations available in the simulator. Using experiments from high-energy physics, we explore how this strategy may enable the development of a foundation model; we show how RS3L pretraining enables powerful performance in downstream tasks such as discrimination of a variety of objects and uncertainty mitigation. In addition to our results, we make the RS3L dataset publicly available for further studies on how to improve SSL strategies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Thermo-mechanical performance assessment of selected plates from MP-1 high power experiments

Monolithic plate-type fuel is a fuel form that is being developed for the conversion of high performance research and test reactors to low-enrichment uranium fuels. These fuel-plates are comprised of a high density, low enrichment, U-Mo alloy based fuel foil encapsulated in an aluminum cladding. To benchmark this new design, number of plates has been irradiated with satisfactory performance. As a part of continuing evaluation efforts, a set of plates covering range of operational parameters is scheduled to be tested during MP-1 irradiation experiments. It is necessary to evaluate the thermo-mechanical performance of plates during irradiation. For this, selected plates with distinct operational histories; covering low power, high power and high fission density were simulated. Fully coupled three-dimensional models of plates with a capability to evolve mechanical and thermal properties of constituent materials with irradiation time and burn-up were developed. The models input used projected parameters, including plate geometry, irradiation history and coolant conditions as input. The model output included temperature, displacement and stresses in the fuel, cladding and diffusion barrier. The fuel behavioral model considered inelastic behavior including volumetric swelling due to solid and gaseous products, irradiation induced creep, thermal expansion, conductivity degradation and plasticity. A visco-plastic behavioral model was used for the cladding that included thermal creep, irradiation hardening, growth due to fast neutrons and Mises plasticity. The plates were then simulated by using projected irradiation parameters. The resulting temperature, displacement and stress-strains were comparatively evaluated on the selected paths. The results were then compared with those of plates from previous RERTR experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Measurements of $\pi^-$ production in $^7$Be+$^9$Be collisions at beam momenta from 19$A$ to 150$A$GeV/$c$ in the NA61/SHINE experiment at the CERN SPS

The NA61/SHINE collaboration studies at the CERN Super Proton Synchrotron (SPS) the onset of deconfinement in hadronic matter by the measurement of particle production in collisions of nuclei with various sizes at a set of energies covering the SPS energy range. This paper presents results on inclusive double-differential spectra and mean multiplicities of $\pi^{-}$ mesons produced in the 5% most central $^7$Be + $^9$Be collisions at beam momenta of 19$A$, 30$A$, 40$A$, 75$A$ and 150$A$ GeV/$c$ obtained by the so-called $h^-$ method which does not require any particle identification. The shape of the transverse mass spectra differs from the shapes measured in central Pb + Pb collisions and inelastic p + p interactions. The normalized width of the rapidity distribution decreases with increasing collision energy and is in between the results for inelastic nucleon-nucleon and central Pb + Pb collisions. The mean multiplicity of pions per wounded nucleon in central $^7$Be + $^9$Be collisions is close to that in central Pb + Pb collisions up to 75$A$GeV/$c$. However, at the top SPS energy the result is close to the one for inelastic nucleon-nucleon interactions. The results are discussed in the context of predictions for the onset of deconfinement at the CERN SPS collision energies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Measurements of $\pi ^\pm $, $K^\pm $, p and $\bar{p}$ spectra in $^7$Be+$^9$Be collisions at beam momenta from 19A to 150A ${\mathrm{Ge} \mathrm{V}}\!/\!c$ with the NA61/SHINE spectrometer at the CERN SPS

The NA61/SHINE experiment at the CERN Super Proton Synchrotron (SPS) studies the onset of deconfinement in hadron matter by a scan of particle production in collisions of nuclei with various sizes at a set of energies covering the SPS energy range. This paper presents results on inclusive double-differential spectra, transverse momentum and rapidity distributions and mean multiplicities of $\pi^, \pm K^\pm$ p and $\bar{p}$ produced in the 20% most central Be+$^9$ Be collisions at beam momenta of 19A, 30A, 40A, 75A and 150A ${\mathrm{Ge} \mathrm{V}}\!/\!c$. The energy dependence of the $K^\pm/ \pi^\pm$ ratios as well as of inverse slope parameters of the $K^\pm$ transverse mass distributions are close to those found in inelastic $p+p$ reactions. The new results are compared to the world data on $p+p and Pb+Pb collisions as well as to predictions of the Epos , U r qmd , Ampt , Phsd and Smash models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗