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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

EXFOR – a global experimental nuclear reaction data repository: Status and new developments

Members of the International Network of Nuclear Reaction Data Centres (NRDC) have collaborated since the 1960s on the worldwide collection, compilation and dissemination of experimental nuclear reaction data. New publications are systematically complied, and all agreed data assembled and incorporated within the EXFOR database. Here, recent upgrades to achieve greater completeness of the contents are described, along with reviews and adjustments of the compilation rules for specific types of data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

GradDFT. A software library for machine learning enhanced density functional theory

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when dealing with strongly correlated systems. To address these shortcomings, recent work has begun to explore how machine learning can expand the capabilities of DFT: an endeavor with many open questions and technical challenges. In this work, we present GradDFT a fully differentiable JAX-based DFT library, enabling quick prototyping and experimentation with machine learning-enhanced exchange–correlation energy functionals. GradDFT employs a pioneering parametrization of exchange–correlation functionals constructed using a weighted sum of energy densities, where the weights are determined using neural networks. Moreover, GradDFT encompasses a comprehensive suite of auxiliary functions, notably featuring a just-in-time compilable and fully differentiable self-consistent iterative procedure. To support training and benchmarking efforts, we additionally compile a curated dataset of experimental dissociation energies of dimers, half of which contain transition metal atoms characterized by strong electronic correlations. The software library is tested against experimental results to study the generalization capabilities of a neural functional across potential energy surfaces and atomic species, as well as the effect of training data noise on the resulting model accuracy.

Chemistry↗
DOE OSTI2019

Neoproterozoic to early Phanerozoic rise in island arc redox state due to deep ocean oxygenation and increased marine sulfate levels

A rise in atmospheric O 2 levels between 800 and 400 Ma is thought to have oxygenated the deep oceans, ushered in modern biogeochemical cycles, and led to the diversification of animals. Over the same time interval, marine sulfate concentrations are also thought to have increased to near-modern levels. We present compiled data that indicate Phanerozoic island arc igneous rocks are more oxidized (Fe 3+ /ΣFe ratios are elevated by 0.12) vs. Precambrian equivalents. We propose this elevation is due to increases in deep-ocean O 2 and marine sulfate concentrations between 800 and 400 Ma, which oxidized oceanic crust on the seafloor. Once subducted, this material oxidized the subarc mantle, increasing the redox state of island arc parental melts, and thus igneous island arc rocks. We test this using independently compiled V/Sc ratios, which are also an igneous oxybarometer. Average V/Sc ratios of Phanerozoic island arc rocks are elevated (by +1.1) compared with Precambrian equivalents, consistent with our proposal for an increase in the redox state of the subarc mantle between 800 and 400 Ma based on Fe 3+ /ΣFe ratios. This work provides evidence that the more oxidized nature of island arc vs. midocean-ridge basalts is related to the subduction of material oxidized at the Earth’s surface to the subarc mantle. It also indicates that the rise of atmospheric O 2 and marine sulfate to near-modern levels by the late Paleozoic influenced not only surface biogeochemical cycles and animal diversification but also influenced the redox state of island arc rocks, which are building blocks of continental crust.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Temporal covariation of island arc Sr isotopes and seawater chemistry over the past 2 billion years

The chemical compositions of island arc basalts (IAB) reflect contributions from the mantle as well as fluids and melts from the subducting slab. Addition of radiogenic seawater Sr to oceanic crust through hydrothermal alteration and subsequent subduction is often invoked to explain elevated 87 Sr/ 86 Sr signatures in modern IAB. However, changes in the 87 Sr/ 86 Sr of island arc magmatic rocks through time has not been investigated, limiting our understanding of the factors influencing the Sr budgets of arcs throughout Earth’s history. To address this, we compiled 87 Sr/ 86 Sr values from island arc magmatic rocks ranging in age from modern to Paleoproterozoic, only including data from island arc localities that best preserve initial magmatic 87 Sr/ 86 Sr. Median initial 87 Sr/ 86 Sr values are consistently elevated compared to depleted mantle 87 Sr/ 86 Sr over this period, indicating persistent enrichment in radiogenic Sr in island arcs. Moreover, the elevation in island arc 87 Sr/ 86 Sr relative to the depleted mantle is variable. A notable rise in island arc 87 Sr/ 86 Sr during the late Neoproterozoic coincides with a steep increase in seawater 87 Sr/ 86 Sr and Sr concentration. To investigate this potential connectivity, we modeled the 87 Sr/ 86 Sr of island arc magmas between 0 and 830 Ma with inputs of depleted mantle 87 Sr/ 86 Sr, seawater 87 Sr/ 86 Sr, and seawater Sr concentration. The model reproduces the overall trajectory of the compiled data. We interpret the observed temporal variation in island arc 87 Sr/ 86 Sr values and its close association with fluctuations in seawater chemistry as evidence that changes in marine geochemistry have strongly influenced the Sr isotopic record of island arc magmas over time.

Science & Technology - Other Topics↗
DOE OSTI2013

THE FOURTH US NAVAL OBSERVATORY CCD ASTROGRAPH CATALOG (UCAC4)

The fourth United States Naval Observatory (USNO) CCD Astrograph Catalog, UCAC4, was released in 2012 August (double-sided DVD and CDS data center Vizier catalog I/322). It is the final release in this series and contains over 113 million objects; over 105 million of them with proper motions (PMs). UCAC4 is an updated version of UCAC3 with about the same number of stars also covering all-sky. Bugs were fixed, Schmidt plate survey data were avoided, and precise five-band photometry was added for about half the stars. Astrograph observations have been supplemented for bright stars by FK6, Hipparcos, and Tycho-2 data to compile a UCAC4 star catalog complete from the brightest stars to about magnitude R = 16. Epoch 1998-2004 positions are obtained from observations with the 20 cm aperture USNO Astrograph's 'red lens', equipped with a 4k by 4k CCD. Mean positions and PMs are derived by combining these observations with over 140 ground- and space-based catalogs, including Hipparcos/Tycho and the AC2000.2, as well as unpublished measures of over 5000 plates from other astrographs. For most of the faint stars in the southern hemisphere, the first epoch plates from the Southern Proper Motion program form the basis for PMs, while the Northern Proper Motion first epoch plates serve the same purpose for the rest of the sky. These data are supplemented by 2MASS near-IR photometry for about 110 million stars and five-band (B, V, g, r, i) APASS data for over 51 million stars. Thus the published UCAC4, as were UCAC3 and UCAC2, is a compiled catalog with the UCAC observational program being a major component. The positional accuracy of stars in UCAC4 at mean epoch is about 15-100 mas per coordinate, depending on magnitude, while the formal errors in PMs range from about 1 to 10 mas yr{sup -1} depending on magnitude and observing history. Systematic errors in PMs are estimated to be about 1-4 mas yr{sup -1}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

REVISITING THE SCALING RELATIONS OF BLACK HOLE MASSES AND HOST GALAXY PROPERTIES

New kinematic data and modeling efforts in the past few years have substantially expanded and revised dynamical measurements of black hole masses (M {sub .}) at the centers of nearby galaxies. Here we compile an updated sample of 72 black holes and their host galaxies, and present revised scaling relations between M {sub .} and stellar velocity dispersion ({sigma}), V-band luminosity (L), and bulge stellar mass (M {sub bulge}), for different galaxy subsamples. Our best-fitting power-law relations for the full galaxy sample are log{sub 10}(M {sub .}) = 8.32 + 5.64log{sub 10}({sigma}/200 km s{sup -1}), log{sub 10}(M {sub .}) = 9.23 + 1.11log{sub 10}(L/10{sup 11} L {sub Sun }), and log{sub 10}(M {sub .}) = 8.46 + 1.05log{sub 10}(M {sub bulge}/10{sup 11} M {sub Sun }). A log-quadratic fit to the M {sub .}-{sigma} relation with an additional term of {beta}{sub 2} [log{sub 10}({sigma}/200 km s{sup -1})]{sup 2} gives {beta}{sub 2} = 1.68 {+-} 1.82 and does not decrease the intrinsic scatter in M {sub .}. Including 92 additional upper limits on M {sub .} does not change the slope of the M {sub .}-{sigma} relation. When the early- and late-type galaxies are fit separately, we obtain similar slopes of 5.20 and 5.06 for the M {sub .}-{sigma} relation but significantly different intercepts-M {sub .} in early-type galaxies are about two times higher than in late types at a given sigma. Within early-type galaxies, our fits to M {sub .}({sigma}) give M {sub .} that is about two times higher in galaxies with central core profiles than those with central power-law profiles. Our M {sub .}-L and M {sub .}-M {sub bulge} relations for early-type galaxies are similar to those from earlier compilations, and core and power-law galaxies yield similar L- and M {sub bulge}-based predictions for M {sub .}. When the conventional quadrature method is used to determine the intrinsic scatter in M {sub .}, our data set shows weak evidence for increased scatter at M {sub bulge} < 10{sup 11} M {sub Sun} or L{sub V} < 10{sup 10.3} L {sub Sun }, while the scatter stays constant for 10{sup 11} < M {sub bulge} < 10{sup 12.3} M {sub Sun} and 10{sup 10.3} < L{sub V} < 10{sup 11.5} L {sub Sun }. A Bayesian analysis indicates that a larger sample of M {sub .} measurements would be needed to detect any statistically significant trend in the scatter with galaxy properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE WIRED SURVEY. IV. NEW DUST DISKS FROM THE McCOOK and SION WHITE DWARF CATALOG

We have compiled photometric data from the Wide-field Infrared Survey Explorer All Sky Survey and other archival sources for the more than 2200 objects in the original McCook and Sion Catalog of Spectroscopically Identified White Dwarfs. We applied color-selection criteria to identify 28 targets whose infrared spectral energy distributions depart from the expectation for the white dwarf (WD) photosphere alone. Seven of these are previously known WDs with circumstellar dust disks, five are known central stars of planetary nebulae, and six were excluded for being known binaries or having possible contamination of their infrared photometry. We fit WD models to the spectral energy distributions of the remaining ten targets, and find seven new candidates with infrared excess suggesting the presence of a circumstellar dust disk. We compare the model dust disk properties for these new candidates with a comprehensive compilation of previously published parameters for known WDs with dust disks. It is possible that the current census of WDs with dust disks that produce an excess detectable at K-band and shorter wavelengths is close to complete for the entire sample of known WDs to the detection limits of existing near-IR all-sky surveys. The WD dust disk candidates now being found using longer wavelength infrared data are drawn from a previously underrepresented region of parameter space, in which the dust disks are overall cooler, narrower in radial extent, and/or contain fewer emitting grains.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Probing cosmological isotropy with type Ia supernovae

We investigate the validity of the cosmological principle by mapping the cosmological parameters H{sub 0} and q{sub 0} through the celestial sphere. In our analysis, which is performed in a low-redshift regime to follow a model-independent approach, we use two compilations of type Ia Supernovae (SNe Ia), namely the Union2.1 and the JLA data sets. First, we show that the angular distributions for both SNe Ia data sets are statistically anisotropic at a high confidence level (p-value < 0.0001), particularly the JLA sample. Then we find that the cosmic expansion and acceleration are mainly of dipolar type, with maximal anisotropic expansion [acceleration] pointing toward (l,b)≃(326{sup ∘},12{sup ∘}) [(l,b)≃(174{sup ∘},27{sup ∘})], and (l,b)≃(58{sup ∘},−60{sup ∘}) [(l,b)≃(225{sup ∘},51{sup ∘})] for the Union2.1 and JLA data, respectively. Second, we use a geometrical method to test the hypothesis that the non-uniformly distributed SNe Ia events could introduce anisotropic imprints on the cosmological expansion and acceleration. For the JLA compilation, we found significant correlations between the celestial distribution of data points and the directional studies of H{sub 0} and q{sub 0}, suggesting that these results can be attributed to the intrinsic anisotropy of the sample. In the case of the Union2.1 data, nonetheless, these correlations are less pronounced, and we verify that the dipole asymmetry found in the H{sub 0} analyses coincides with the well-known bulk-flow motion of our local group. From these analyses, we conclude that the directional asymmetry on the cosmological parameter maps are mainly either of local origin or due to celestial incompleteness of current SNe Ia samples.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE FIRST FERMI-LAT GAMMA-RAY BURST CATALOG

In three years of observations since the beginning of nominal science operations in 2008 August, the Large Area Telescope (LAT) on board the Fermi Gamma-Ray Space Telescope has observed high-energy (∼> 20 MeV) γ-ray emission from 35 gamma-ray bursts (GRBs). Among these, 28 GRBs have been detected above 100 MeV and 7 GRBs above ∼20 MeV. The first Fermi-LAT catalog of GRBs is a compilation of these detections and provides a systematic study of high-energy emission from GRBs for the first time. To generate the catalog, we examined 733 GRBs detected by the Gamma-Ray Burst Monitor (GBM) on Fermi and processed each of them using the same analysis sequence. Details of the methodology followed by the LAT collaboration for the GRB analysis are provided. We summarize the temporal and spectral properties of the LAT-detected GRBs. We also discuss characteristics of LAT-detected emission such as its delayed onset and longer duration compared with emission detected by the GBM, its power-law temporal decay at late times, and the fact that it is dominated by a power-law spectral component that appears in addition to the usual Band model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A near-infrared spectroscopic survey of 886 nearby M dwarfs

We present a catalog of near-infrared (NIR) spectra and associated measurements for 886 nearby M dwarfs. The spectra were obtained with the NASA-Infrared Telescope Facility SpeX Spectrograph during a two-year observing campaign; they have high signal-to-noise ratios (S/N > 100–150), span 0.8–2.4 μm, and have R∼2000. Our catalog of measured values contains useful T{sub eff} and composition-sensitive features, empirical stellar parameter measurements, and kinematic, photometric, and astrometric properties compiled from the literature. We focus on measurements of M dwarf abundances ([Fe/H] and [M/H]), capitalizing on the precision of recently published empirical NIR spectroscopic calibrations. We explore systematic differences between different abundance calibrations, and from other similar M dwarf catalogs. We confirm that the M dwarf abundances we measure show the expected inverse dependence with kinematic-, activity-, and color-based age indicators. Finally, we provide updated [Fe/H] and [M/H] for 16 M dwarf planet hosts. This catalog represents the largest published compilation of NIR spectra and associated parameters for M dwarfs. It provides a rich and uniform resource for nearby M dwarfs, and will be especially valuable for measuring Habitable Zone locations and comparative abundances of the M dwarf planet hosts that will be uncovered by upcoming exoplanet surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

HPC-driven computational reproducibility in numerical relativity codes: a use case study with IllinoisGRMHD

Abstract Reproducibility of results is a cornerstone of the scientific method. Scientific computing encounters two challenges when aiming for this goal. Firstly, reproducibility should not depend on details of the runtime environment, such as the compiler version or computing environment, so results are verifiable by third-parties. Secondly, different versions of software code executed in the same runtime environment should produceconsistent numerical results for physical quantities. In this manuscript, we test the feasibility of reproducing scientific results obtained using theIllinoisGRMHDcode that is part of an open-source community software for simulation in relativistic astrophysics, theEinstein Toolkit. We verify that numerical results of simulating a single isolated neutron star withIllinoisGRMHDcan be reproduced, and compare them to results reported by the code authors in 2015. We use two different supercomputers: Expanse at SDSC, and Stampede2 at TACC. By compiling the source code archived along with the paper on both Expanse and Stampede2, we find thatIllinoisGRMHDreproduces results published in its announcement paper up to errors comparable to round-off level changes in initial data parameters. We also verify that a current version ofIllinoisGRMHDreproduces these results once we account for bug fixes which have occurred since the original publication.

Astronomy & Astrophysics↗
DOE OSTI2013

Model-independent constraints on the cosmic opacity

We use current measurements of the expansion rate H(z) and cosmic background radiation bounds on the spatial curvature of the Universe to impose cosmological model-independent constraints on cosmic opacity. To perform our analyses, we compare opacity-free distance modulus from H(z) data with those from two type Ia supernovae compilations, namely, the Union2.1 plus the most distant spectroscopically confirmed SNe Ia (SCP-0401 at z = 1.713) and two Sloan Digital Sky Survey (SDSS) subsamples. We find that a completely transparent universe is in full agreement with the Union 2.1 + SNe Ia SCP-0401 sample. For the SDSS compilations, such universe is compatible with observations at < 1.5σ level regardless the SNe Ia light-curve fitting used.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Constraints on a φCDM model from strong gravitational lensing and updated Hubble parameter measurements

We constrain the scalar field dark energy model with an inverse power-law potential, i.e., V(φ) ∝ φ{sup −α} (α > 0), from a set of recent cosmological observations by compiling an updated sample of Hubble parameter measurements including 30 independent data points. Our results show that the constraining power of the updated sample of H(z) data with the HST prior on H{sub 0} is stronger than those of the SCP Union2 and Union2.1 compilations. A recent sample of strong gravitational lensing systems is also adopted to confine the model even though the results are not significant. A joint analysis of the strong gravitational lensing data with the more restrictive updated Hubble parameter measurements and the Type Ia supernovae data from SCP Union2 indicates that the recent observations still can not distinguish whether dark energy is a time-independent cosmological constant or a time-varying dynamical component.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Constraining the time evolution of dark energy, curvature and neutrino properties with cosmic chronometers

We use the latest compilation of observational Hubble parameter measurements estimated with the differential evolution of cosmic chronometers , in the redshift range 0< z <2, to place constraints on cosmological parameters. We used a Markov-Chain Monte-Carlo approach to sample the parameter space for the cosmic chronometers dataset alone and in combination with other state-of-the art cosmological measurements: CMB data from the latest Planck 2015 release, the most recent estimate of the Hubble constant H {sub 0}, a compilation of recent baryon acoustic oscillation data, and the latest type Ia cosmological supernovae sample. From late-Universe probes alone ( z <2) we find that w {sub 0} = −0.9 ± 0.18 and w {sub a} = −0.5 ± 1.7, and when combining also Planck 2015 data we obtain w {sub 0}=−0.98± 0.11 and w {sub a} =−0.30±0.4. These new constraints imply that nearly all quintessence models are disfavoured by the data; only phantom models or a pure cosmological constant are favoured. This is a remarkable finding as it imposes severe constraints on the nature of dark energy. For the curvature our constraints are Ω {sub k} = 0.003 ± 0.003, considering also CMB data. We also find that H ( z ) data from cosmic chronometers are important to constrain parameters that do no affect directly the expansion history, by breaking or reducing degeneracies with other parameters. We find that N {sub eff} = 3.17 ± 0.15, thus excluding the possibility of an extra (sterile) neutrino at more than 5 σ, and put competitive limits on the sum of neutrino masses, Σ m {sub ν}< 0.27 eV at 95% confidence level. Finally, we constrain the redshift evolution of dark energy by exploring separately the early and late-Universe, and find a dark energy equation of state evolution w ( z ) consistent with that in the ΛCDM model at the ± 0.4 level over the entire redshift range 0 < z < 2.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Testing ΛCDM at the lowest redshifts with SN Ia and galaxy velocities

Peculiar velocities of objects in the nearby universe are correlated due to the gravitational pull of large-scale structure. By measuring these velocities, we have a unique opportunity to test the cosmological model at the lowest redshifts. We perform this test, using current data to constrain the amplitude of the "signal" covariance matrix describing the velocities and their correlations. We consider a new, well-calibrated "Supercal" set of low-redshift SNe Ia as well as a set of distances derived from the fundamental plane relation of 6dFGS galaxies. Here, analyzing the SN and galaxy data separately, both results are consistent with the peculiar velocity signal of our fiducial ΛCDM model, ruling out the noise-only model with zero peculiar velocities at greater than 7σ (SNe) and 8σ (galaxies). When the two data sets are combined appropriately, the precision of the test increases slightly, resulting in a constraint on the signal amplitude of A = 1.05 -0.21 +0.25 where A = 1 corresponds to our fiducial model. Equivalently, we report an 11% measurement of the product of the growth rate and amplitude of mass fluctuations evaluated at z eff = 0.02, f σ 8 = 0.428 -0.045 +0.048 , valid for our fiducial ΛCDM model. Here, we explore the robustness of the results to a number of conceivable variations in the analysis and find that individual variations shift the preferred signal amplitude by less than ~0.5σ. We briefly discuss our Supercal SN Ia results in comparison with our previous results using the JLA compilation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Low mass X-ray binaries in the Inner Galaxy: implications for millisecond pulsars and the GeV excess

If millisecond pulsars (MSPs) are responsible for the excess gamma-ray emission observed from the region surrounding the Galactic Center, the same region should also contain a large population of low-mass X-ray binaries (LMXBs). In this study, we compile and utilize a sizable catalog of LMXBs observed in the the Milky Way's globular cluster system and in the Inner Galaxy, as well as the gamma-ray emission observed from globular clusters, to estimate the flux of gamma rays predicted from MSPs in the Inner Galaxy. From this comparison, we conclude that only up to ∼ 4-23% of the observed gamma-ray excess is likely to originate from MSPs. This result is consistent with, and more robust than, previous estimates which utilized smaller samples of both globular clusters and LMXBs. If MSPs had been responsible for the entirety of the observed excess, INTEGRAL should have detected ∼ 10{sup 3} LMXBs from within a 10{sup o} radius around the Galactic Center, whereas only 42 LMXBs (and 46 additional LMXB candidates) have been observed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

ROOT 6 and beyond: TObject, C++14 and many cores

Following the release of version 6, ROOT has entered a new area of development. It will leverage the industrial strength compiler library shipping in ROOT 6 and its support of the C++11/14 standard, to significantly simplify and harden ROOT's interfaces and to clarify and substantially improve ROOT's support for multi-threaded environments. Furthermore, this talk will also recap the most important new features and enhancements in ROOT in general, focusing on those allowed by the improved interpreter and better compiler support, including I/O for smart pointers, easier type safe access to the content of TTrees and enhanced multi processor support.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

XACC: a system-level software infrastructure for heterogeneous quantum–classical computing

Quantum programming techniques and software have advanced significantly over the past five years, with a majority focusing on high-level language frameworks targeting remote REST library APIs. As quantum computing architectures advance and become more widely available, lower-level, system software infrastructures will be needed to enable tighter, co-processor programming and access models. In this work, we present XACC, a system-level software infrastructure for quantum–classical computing that promotes a service-oriented architecture to expose interfaces for core quantum programming, compilation, and execution tasks. Additionally, we detail XACC's interfaces, their interactions, and its implementation as a hardware-agnostic framework for both near-term and future quantum–classical architectures. We provide concrete examples demonstrating the utility of this framework with paradigmatic tasks. Our approach lays the foundation for the development of compilers, associated runtimes, and low-level system tools tightly integrating quantum and classical workflows.

97 MATHEMATICS AND COMPUTING↗