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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Characterizing the Small Scale Structure in Clusters of Galaxies

We studied galaxy clusters Abell 119, Abell 754, and Abell 1750, using data from the ASCA and ROSAT satellites. In addition, we completed the paper "Merging Binary Clusters". In this paper we study three prominent bi-modal X-ray clusters: A3528, A1750 and A3395. Since the sub-clusters in these systems have projected separations of 0.93, 1.00 and 0.67 Mpc respectively, we examine their X-ray and optical observations to investigate the dynamics and possible merging of these sub-clusters. Using data taken with ROSAT and ASCA, we analyze the temperature and surface brightness distributions. We also analyze the velocity distributions of the three clusters using new measurements supplemented with previously published data. We examined both the overall cluster properties as well as the two sub-cluster elements in each. These results were then applied to the determination of the overall cluster masses, that demonstrate excellent consistency between the various methods used. While the characteristic parameters of the sub-clusters are typical of isolated objects, our temperature results for the regions between the two sub-clusters clearly confirm the presence of merger activity that is suggested by the surface brightness distributions. These three clusters represent a progression of equal-sized sub-cluster mergers, starting from initial contact to immediately before first core passage.

Forman, William R.↗
NASA NTRS1993

Stellar black holes in globular clusters

The recent discovery of large populations of millisec pulsars associated with neutron stars in globular clusters indicates that several hundred stellar black holes of about 10 solar masses each can form within a typical cluster. While, in clusters of high central density, the rapid dynamical evolution of the black-hole population leads to an ejection of nearly all holes on a short timescale, systems of intermediate density may involve a normal star's capture by one of the surviving holes to form a low-mass X-ray binary. One or more such binaries may be found in the globular clusters surrounding our galaxy.

Kulkarni, S. R.↗
NASA NTRS1990

The role of magnetic fields in cluster cooling flows

An investigation is made of the dynamical effects of the intracluster magnetic field, whose radial inflow and shear can produce a dramatic increase in the field's strength while rendering it more radial, with cooling flows. It is found that field reconnection is the most likely dominant-loss mechanism, so that buoyancy effects are probably not important. Attention is given to the effect of the magnetic field on thermal instabilities. The most important observable effect of the magnetic field in cooling flows will probably be very strong Faraday rotation of the polarization of radio sources within or behind the cooling flow.

Soker, Noam↗
NASA NTRS1985

Origin of the difference of the coverage-dependent vibrational shift for S on Ni(100) and O on Ni(100)

The p(2 x 2) and c(2 x 2) coverages of S on Ni(100) are studied with a cluster model. Consistent with a recent lattice-dynamics study, the chemical contribution (rigid Ni lattice) to the coverage-dependent shift of the S vibrational energy is of opposite sign to that for O. Analysis of the cluster wave functions suggests that S becomes less negatively charged with coverage, while O becomes more ionic; however, this effect is small.

Bauschlicher, C. W., Jr.↗
DOE OSTI2025

Nanocluster Active Sites Formed on Heterogeneous Thermal Catalysts and Electrocatalysts by Operando Reactive Environments

Here, in this Viewpoint, we summarize our recent studies in this endeavor, ending with a forward-looking perspective into the remaining challenges and open questions for consideration by the catalysis community. Through a computationally efficient framework of systematically investigating metal atom ejection from and migration onto metal surfaces, leading to the formation of metal atom clusters, we show that the surface of a metal catalyst is dynamic and much less rigid than previously thought. We suggest that the operando formed metal atom clusters are novel active sites, which can dominate the activity of steps or kinks (let aside terraces) from where their constituent atoms were ejected. Through more readily responding to reaction conditions by forming catalytically active clusters, solid metal catalysts approach not only homogeneous catalyst motifs, thus establishing a bridge between homogeneous and heterogeneous catalysis, but also liquid metals which have been suggested to be better than traditional heterogeneous catalysts.

adsorption↗
DOE OSTI2024

Probing Basal and Prismatic Planes of Graphitic Materials for Metal Single Atom and Subnanometer Cluster Stabilization

Abstract Supported metal single atom catalysis is a dynamic research area in catalysis science combining the advantages of homogeneous and heterogeneous catalysis. Understanding the interactions between metal single atoms and the support constitutes a challenge facing the development of such catalysts, since these interactions are essential in optimizing the catalytic performance. For conventional carbon supports, two types of surfaces can contribute to single atom stabilization: the basal planes and the prismatic surface; both of which can be decorated by defects and surface oxygen groups. To date, most studies on carbon‐supported single atom catalysts focused on nitrogen‐doped carbons, which, unlike classic carbon materials, have a fairly well‐defined chemical environment. Herein we report the synthesis, characterization and modeling of rhodium single atom catalysts supported on carbon materials presenting distinct concentrations of surface oxygen groups and basal/prismatic surface area. The influence of these parameters on the speciation of the Rh species, their coordination and ultimately on their catalytic performance in hydrogenation and hydroformylation reactions is analyzed. The results obtained show that catalysis itself is an interesting tool for the fine characterization of these materials, for which the detection of small quantities of metal clusters remains a challenge, even when combining several cutting‐edge analytical methods.

Vidal, Mathieu↗
NASA NTRS2016

Simulations of Li+ in Ionic Liquids: Structure, Transport, and Electrochemical Windows

Ionic liquids have been proposed as candidate electrolytes for a number of electrochemical applications. The Li+ solvation structure in these liquids is of central importance to electrolyte properties, like ionic conductivity and electrochemical stability. To this point, we employ simulations at three different size scales to better understand various aspects of the interplay between Li+ solvation structure and dynamics. The smallest systems are Li(Anion)n clusters that are treated with high-accuracy density functional theory (DFT) techniques to provide insight into solvation shell structure through energetics and comparisons to experimental IRRaman spectra. Mid-range sized liquid-phase systems (12-24 ion pairs) are treated with DFT molecular dynamics (MD) to provide temperature-dependent insight into Li+ solvation structure, diffusion, and electrochemical window. The largest systems (144-216 ion pairs) are treated with polarizable MD simulations to evaluate the influence of Li-networks on structure and provide size independent values of transport properties. We perform this procedure on three technologically important ionic liquids and comment on property correlations with solvation structure.

batteries↗
DOE OSTI2025

Ionic Associations and Hydration in the Electrical Double Layer of Water-in-Salt Electrolytes

Water-in-Salt-Electrolytes (WiSEs) are an exciting class of concentrated electrolytes finding applications in energy storage devices because of their expanded electrochemical stability window, good conductivity and cation transference number, and fire-extinguishing properties. These distinct properties are thought to originate from the presence of an anion-dominated ionic network and interpenetrating water channels for cation transport, which indicates that associations in WiSEs are crucial to understanding their properties. Currently, associations have mainly been investigated in the bulk, while little attention has been given to the electrolyte structure near electrified interfaces. Here, we develop a theory for the electrical double layer (EDL) of WiSEs, where we consistently account for the thermoreversible associations of species into Cayley tree aggregates. The theory predicts an asymmetric structure of the EDL. At negative voltages, hydrated Li + dominates, and cluster aggregation is initially slightly enhanced before disintegration at larger voltages. At positive voltages, when compared to the bulk, clusters are strictly diminished. Performing atomistic molecular dynamics (MD) simulations of the EDL of WiSE provides EDL data for validation and bulk data for parametrization of our theory. Validating the predictions of our theory against MD showed good qualitative agreement. Furthermore, we performed electrochemical impedance measurements to determine the differential capacitance of the studied LiTFSI WiSE and also found reasonable agreement with our theory. Overall, the developed approach can be used to investigate ionic aggregation and solvation effects in the EDL, which, among other properties, can be used to understand the precursors for solid-electrolyte interphase formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Efficient machine learning interatomic potentials robust for liquid and multiple solid polymorphs of NaF and KF

Achieving atomic-level understanding of crystallization of molten salts is of importance to a wide range of technological applications. Recent work [Fan et al., Proc. Natl. Acad. Sci. USA 122, e2425702122 (2025)] revealed that crystal nucleation in molten LiF salt is a multistage process according to the molecular-dynamics (MD) simulations based on an atomic cluster expansion (ACE) machine-learning interatomic potential (MLIP). In order to understand the influence of increasing cation size on nucleation pathways and nucleation rates of molten fluoride salts, here we develop two new ACE MLIPs for NaF and KF. The two ACE MLIPs feature DFT-SCAN-level accuracy for liquid and multiple solid polymorphs over a wide temperature (0–2000 K) and pressure (0–100 GPa) range, and also reproduce well a number of experimental data for solid and liquid equilibrium properties. The efficiency of the two ACE MLIPs enable million-atom-scale or microsecond-scale MD simulations. The two general-purpose ACE MLIPs are expected to be useful for atomistic simulations for different purposes, in addition to studying crystallization of molten NaF and KF salts.

Crystal melting↗
DOE OSTI2024

Suppressed Cosmic-Ray Energy Densities in Molecular Clouds from Streaming Instability-regulated Transport

Abstract Cosmic rays (CRs) are the primary driver of ionization in star-forming molecular clouds (MCs). Despite their potential impacts on gas dynamics and chemistry, no simulations of star cluster formation following the creation of individual stars have included explicit cosmic-ray transport (CRT) to date. We conduct the first numerical simulations following the collapse of a 2000 M ⊙ MC and the subsequent star formation including CRT using the STAR FORmation in Gaseous Environments framework implemented in the GIZMO code. We show that when CRT is streaming-dominated, the CR energy in the cloud is strongly attenuated due to energy losses from the streaming instability. Consequently, in a Milky Way–like environment the median CR ionization rate in the cloud is low ( ζ ≲ 2 × 10 −19 s −1 ) during the main star-forming epoch of the calculation and the impact of CRs on the star formation in the cloud is limited. However, in high-CR environments, the CR distribution in the cloud is elevated ( ζ ≲ 6 × 10 −18 ), and the relatively higher CR pressure outside the cloud causes slightly earlier cloud collapse and increases the star formation efficiency by 50% to ∼13%. The initial mass function is similar in all cases except with possible variations in a high-CR environment. Further studies are needed to explain the range of ionization rates observed in MCs and explore star formation in extreme CR environments.

Astronomy & Astrophysics↗
DOE OSTI2026

Differences in cluster and internal wake effects from mesoscale and large-eddy simulations off the US East Coast

Mesoscale simulations are increasingly used to estimate wake effects within and between large wind farms, despite limited validation for large-scale wake effects. This study evaluates the capabilities and limitations of mesoscale simulations in capturing wake-induced impacts on wind turbine power production through a direct comparison with large-domain large-eddy simulations (LESs) for three planned offshore wind farms under realistic atmospheric conditions and a range of atmospheric stabilities. We assess mesoscale performance in replicating wake characteristics behind single and multiple turbine clusters and quantify the resulting variability in mean turbine power. Results show that mesoscale Weather Research and Forecasting simulations with the Fitch wind farm parameterization capture key features of the velocity deficit downstream of both single and multiple wind farms, with mean root-mean-square errors near 5 % and good agreement with stability-driven wake behavior. However, in these simulations, the mesoscale Fitch parameterization underestimates power losses from internal wake effects, particularly when turbines align with the prevailing wind direction or under stable stratification. In these conditions, individual wakes persist and dominate downstream power deficits. The coarse resolution of the mesoscale simulations limits their ability to resolve individual wind turbine wakes that drive power fluctuations within wind farms. Nonetheless, mesoscale simulations can yield accurate estimates of combined wake losses from internal and cluster effects across some wind direction sectors, where errors in wake representation may cancel each other out. These findings underscore the strengths of mesoscale simulations for capturing broader wake patterns while highlighting their limitations for modeling turbine-level power losses. Future work should explore hybrid modeling approaches to capture both long-range cluster wake propagation and localized internal wake dynamics.

17 WIND ENERGY↗
NASA NTRS1976

Statistical simulations of clusters of galaxies

By comparing observed and simulated rich clusters of galaxies, it is shown that the observed clusters actually possess physical cores. The accuracy with which core radii can be determined is found. It is also shown that the observations of density profiles of galaxies in the clusters give no significant evidence for a dynamical reason as the cause of the anomalously close resemblance found previously between such density profiles and the isothermal gas distribution.

Avni, Y.↗
NASA NTRS1988

A study of Upgren 1

Upgren and Rubin (1965) have suggested that a small group of bright F stars, in the direction of the galactic north pole, may be the remnant of an old cluster. The multichannel astrometric photometer (MAP) has been used to determine the parallaxes of six of the candidate stars with an average precision of 1.1 thousandths of an arcsecond (1.1 mas). The derived distances are, as suggested, similar, and an unusual space density of F stars seems indicated. However, the derived space velocities indicate that the proposed cluster is composed of members of two dynamically different groups.

Gatewood, George↗
NASA NTRS1995

Spectroscopic detection of the secondaries of the Hyades interferometric spectroscopic binary theta(sup 2) Tauri and of the interferometric spectroscopic binary alpha Andromedae

We report new high-resolution, wide-wavelength-coverage CCD observations of the visual and near-infrared spectra of the interferometric spectroscopic binaries theta(sup 2) Tau (primary spectral type A 7 III) and alpha And (primary spectral type B8 IVpMnHg), which allow the first direct spectroscopic detection of their secondaries. We have measured primary and secondary radial velocities and used them to redetermine the spectroscopic orbits of the primaries, make an improved determination of K(sub 2) for theta(sup 2) Tau, and measure K(sub 2) for alpha And for the first time. The spectroscopic orbits combined with the interferometrically measured visual orbits of theta(sup 2) Tau and alpha And provide masses and distances, M(sub 1) = 2.1 +/- 0.3 solar mass, M(sub 2) = 1.6 +/- 0.2 solar mass, and d = 44.1 +/- 2.2 pc for theta(sup 2) Tau and M(sub 1) = 5.5 +/- 0.5 solar mass, M(sub 2) = 2.3 +/- 0.2 solar mass, and d = 34.0 +/- 1.3 pc for alpha And. The distance to theta(sup 2) Tau and a foreground correction of 0.07 +/- 0.05 mag set the distance to the center of the Hyades cluster at 45.5 +/- 2.5 pc, or m - M = 3.29 +/- 0.12. Indirect estimates of the mass of theta(sup 2) Tau's primary, made via the mass-luminosity relation and via the Hyades cluster turnoff mass, are consistent with these dynamical masses for its primary and secondary. But in the case of alpha And, the mass-luminosity relation suggests that our dynamical masses for its primary and secondary may be too large. For alpha And somewhat smaller dynamical masses (4.0 and 1.9 solar mass) and the correspondingly smaller distance (31 pc), required by the corresponding larger orbital parallax, provide results consistent with the mass-luminosity relation for normal stars.

Tomkin, Jocelyn↗
NASA NTRS2005

Observations of a Filament in the North Ecliptic Pole Supercluster

Our work on the ROSAT All-Sky Survey at the North Ecliptic Pole has increased from 7 to 21 the group and cluster membership of a previously known supercluster there, revealing a particularly striking example of a filament. We obtained observations of two clusters in this filament to elucidate its dynamics. However, these observations were severely compromised by flares: less than 20% of the requested time survived screening. Consequently the data were inadequate for the project.

Henry, Joseph Henry↗
NASA NTRS2003

Project Status Update and SIM Science Breadth Discussion for the Origins Subcommittee (OS)

This viewgraph presentation is composed of two sections The first reviews the features and the science goals of the Space Interferometry Mission (SIM). The goals are: (1) Perform a search for other planetary systems by surveying 2000 nearby stars for astrometric signatures of planetary companion, (2) Survey a sample of 200 nearby stars for orbiting planets down to terrestrial-type masses (3) Improve best current catalog of star positions by >lOOx and extend to fainter stars to allow extension of stellar knowledge to include our entire galaxy (4) Study dynamics and evolution of stars and star clusters in our galaxy to understand how our galaxy was formed and how it will evolve. (5) Calibrate luminosities of important stars and cosmological distance indicators to improve our understanding of stellar processes and to measure precise distance in the distant universe. The presentation also reviews the accomplishments since 2002, the plans for the subsequent 6 months. The second entitled "The Breadth of SIM Science," reviews SIM science goals in a larger context. SIM will serve to complement and pave the way for the Terrestrial Planet Finder (TPF). SIM observations of the motions of stars will tell us about the distribution of all gravitating mass (light plus dark matter) in the Galaxy. SIM observations of the motions of dwarf galaxies around our own will determine the mass distribution (light plus dark matter in the Halo. SIM will greatly extend these observations to test the theories of accretion disks around super massive black holes. SIM has advantages for studying AGN and other very compact objects.

Michelson stellar interferometers↗
NASA NTRS2007

SIM Planetquest Science and Technology: A Status Report

Optical interferometry will open new vistas for astronomy over the next decade. The Space Interferometry Mission (SIM-PlanetQuest), operating unfettered by the Earth's atmosphere, will offer unprecedented astrometric precision that promises the discovery of Earth-analog extra-solar planets as well as a wealth of important astrophysics. Results from SIM will permit the determination of stellar masses to accuracies of 2% or better for objects ranging from brown dwarfs through main sequence stars to evolved white dwarfs, neutron stars, and black holes. Studies of star clusters will yield age determinations and internal dynamics. Microlensing measurements will present the mass spectrum of the Milky Way internal to the Sun while proper motion surveys will show the Sun's orbital radius and speed. Studies of the Galaxy's halo component and companion dwarf galaxies permit the determination of the Milky Way's mass distribution, including its Dark Matter component and the mass distribution and Dark Matter component of the Local Group. Cosmology benefits from precision (1-2%) determination of distances to Cepheid and RR Lyrae standard candles. The emission mechanism of supermassive black holes will be investigated. Finally, radio and optical celestial reference frames will be tied together by an improvement of two orders of magnitude. Optical interferometers present severe technological challenges. The Jet Propulsion Laboratory, with the support of Lockheed Martin Advanced Technology Center (LM ATC) and Northrop Grumman Space Technology (NGST), has addressed these challenges with a technology development program that is now complete. The requirements for SIM have been satisfied, based on outside peer review, using a series of laboratory tests and appropriate computer simulations: laser metrology systems perform with 10 picometer precision; mechanical vibrations have been controlled to nanometers, demonstrating orders of magnitude disturbance rejection; and knowledge of component positions throughout the whole test assembly has been demonstrated to the required picometer level. Technology transfer to the SIM flight team is now well along.

astrometry↗