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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Thermodynamic Behavior of Nano-sized Gold Clusters on the (001) Surface

We have studied thermal expansion of the surface layers of the hexagonally reconstructed Au (001) surface using a classical Molecular Dynamics (MD) simulation technique with an Embedded Atomic Method (EAM) type many-body potential. We find that the top-most hexagonal layer contracts as temperature increases, whereas the second layer expands or contracts depending on the system size. The magnitude of expansion coefficient of the top layer is much larger than that of the other layers. The calculated thermal expansion coefficients of the top-most layer are about -4.93 x 10(exp -5)Angstroms/Kelvin for the (262 x 227)Angstrom cluster and -3.05 x 10(exp -5)Angstroms/Kelvin for (101 x 87)Angstrom cluster. The Fast Fourier Transform (FFT) image of the atomic density shows that there exists a rotated domain of the top-most hexagonal cluster with rotation angle close to 1 degree at temperature T less than 1000Kelvin. As the temperature increases this domain undergoes a surface orientational phase transition. These predictions are in good agreement with previous phenomenological theories and experimental studies.

Paik, Sun M.↗
NASA NTRS1994

A Doubles Correction to Electronic Excited States from Configuration Interaction in the Space of Single Substitutions

A perturbative correction to the method of configuration interaction with single substitutions (CIS) is presented. This CIS(D) correction approximately introduces the effect of double substitutions which are absent in CIS excited states. CIS(D) is a second-order perturbation expansion of the coupled-cluster excited state method, restricted to single and double substitutions, in a series in which CIS is zeroth order, and the first-order correction vanishes. CIS (D) excitation energies are size consistent and the calculational complexity scales with the fifth power of molecular size, akin to second-order Moller-Plesset theory for the ground state. Calculations on singlet excited states of ethylene, formaldehyde, acetaldehyde, butadiene and benzene show that CIS (D) is a uniform improvement over CIS. CIS(D) appears to be a promising method for examining excited states of large molecules, where more accurate methods are not feasible.

Head-Gordon, Martin↗
NASA NTRS1998

Inverse Compton Scattering in Mildly Relativistic Plasma

We investigated the effect of inverse Compton scattering in mildly relativistic static and moving plasmas with low optical depth using Monte Carlo simulations, and calculated the Sunyaev-Zel'dovich effect in the cosmic background radiation. Our semi-analytic method is based on a separation of photon diffusion in frequency and real space. We use Monte Carlo simulation to derive the intensity and frequency of the scattered photons for a monochromatic incoming radiation. The outgoing spectrum is determined by integrating over the spectrum of the incoming radiation using the intensity to determine the correct weight. This method makes it possible to study the emerging radiation as a function of frequency and direction. As a first application we have studied the effects of finite optical depth and gas infall on the Sunyaev-Zel'dovich effect (not possible with the extended Kompaneets equation) and discuss the parameter range in which the Boltzmann equation and its expansions can be used. For high temperature clusters (k(sub B)T(sub e) greater than or approximately equal to 15 keV) relativistic corrections based on a fifth order expansion of the extended Kompaneets equation seriously underestimate the Sunyaev-Zel'dovich effect at high frequencies. The contribution from plasma infall is less important for reasonable velocities. We give a convenient analytical expression for the dependence of the cross-over frequency on temperature, optical depth, and gas infall speed. Optical depth effects are often more important than relativistic corrections, and should be taken into account for high-precision work, but are smaller than the typical kinematic effect from cluster radial velocities.

Molnar, S. M.↗
DOE OSTI2026

Dara: Automated Multiple-Hypothesis Phase Identification and Refinement from Powder X-ray Diffraction

Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphase systems, remains a manual and expertise-demanding task. As a characterization method that only provides structural information, multiple reference phases can often be fit to a single pattern, leading to potential misinterpretation when alternative solutions are overlooked. To ease humans’ efforts and address the challenge, we introduce Dara (data-driven automated Rietveld analysis), a framework designed to automate the robust identification and refinement of multiple phases from powder XRD data. Dara performs an exhaustive tree search over all plausible phase combinations within a given chemical space and validates each hypothesis using the BGMN Rietveld refinement routine. Key features include structural database filtering, automatic clustering of isostructural phases during tree expansion, and peak-matching-based scoring to identify promising phases for refinement. When ambiguity exists, Dara generates multiple hypothesis which can then be decided between by human experts or with further characterization tools. By enhancing the reliability and accuracy of phase identification, Dara enables scalable analysis of realistic complex XRD patterns and provides a foundation for integration into multimodal characterization workflows, moving toward fully self-driving materials discovery.

Biological databases↗
NASA NTRS1991

Condensation effects on Rayleigh scattering measurements in a supersonic wind tunnel

Rayleigh and Raman scattering measurements have been performed in the 20-in., Mach 6 wind tunnel at the NASA Langley Research Center. Rayleigh results show signal levels much higher than expected for molecular scattering in the tunnel, whereas densities deduced from spontaneous Raman scattering of molecular nitrogen are in good agreement with the expected nitrogen densities in the facility. The apparent discrepancy in the Rayleigh result is attributed to cluster formation as a result of expansion in the tunnel. The dependence of the Rayleigh signal on the stagnation pressure and temperature is also discussed.

Shirinzadeh, B.↗
NASA NTRS1991

Condensation Effects on Rayleigh Scattering Measurements in a Supersonic Wind Tunnel

Rayleigh and Raman scattering measurements have been performed in the 20-inch, Mach 6 wind tunnel at the NASA Langley Research Center. Rayleigh results show signal levels which are much higher than expected for molecular scattering in the tunnel, while densities deduced from spontaneous Raman scattering of molecular nitrogen are in good agreement with the expected nitrogen densities in the facility. The apparent discrepancy in the Rayleigh result is attributed to cluster formation as a result of expansion in the tunnel. The dependence of the Rayleigh signal on the stagnation pressure and temperature is also discussed.

Shirinzadeh, B.↗
DOE OSTI2026

Dark Energy Survey Year 6 Results: MagLim++ Lens Sample Selection and Measurements of Galaxy Clustering

Galaxy clustering is a sensitive probe of the expansion history and growth of structure of the universe, and key degeneracies can be broken by combining these data with measurements of cosmic shear and galaxy-galaxy lensing (a so-called 3$\times$2pt analysis). The largest and least biased statistical samples of galaxies for use in clustering analyses can be collected photometrically through large imaging surveys. However, selecting clean photometric subsamples for cosmology are crucial for avoiding contamination that can bias cosmological constraints. Here we present the MagLim++ galaxy sample, selected to optimize for cosmological constraining power and incorporating an array of novel quality cuts to identify and remove residual contamination. This sample comes from the full six years of observations from the Dark Energy Survey. We present measurements of the two-point angular clustering ($w(θ)$) of 9,186,205 galaxies distributed over 4031 sq. degrees and in six tomographic redshift bins centered at $\bar{z}\approx$ [0.31, 0.44, 0.62, 0.78, 0.90, 1.01]. These measurements are used as part of the 3$\times$2pt and other DES Y6 legacy cosmological analyses in companion works. We describe the battery of null tests and mitigation schemes implemented to address observational, astrophysical, and methodological systematics in the analysis. The resulting $w(θ)$ measurements have a S/N = 149 (90.2 for linear scales only), which we use to place galaxy-clustering-only constraints on the matter density of the Universe, $Ω_m=0.311^{+0.023}_{-0.035}$, and amplitude of galaxy clustering in each redshift bin, $b_iσ_8=[1.16^{+0.04}_{-0.06},\ 1.40^{+0.04}_{-0.06},\ 1.57^{+0.04}_{-0.06},\ 1.59^{+0.04}_{-0.05},\ 1.50^{+0.04}_{-0.05},\ 1.74^{+0.06}_{-0.08}]$.

Weaverdyck, N. [BCCP, Berkeley; UC, Berkeley; LBL,↗
NASA NTRS2000

Imaging the Sunyaev-Zeldovich Effect in Clusters of Galaxies

Sunyaev-Zeldovich Effect imaging capabilities have recently advanced to the point that high signal-to-noise measurements are available for numerous clusters of galaxies. We discuss the results of these S-Z observations, including determination of the pressure distribution of the hot intracluster medium and the cluster gas mass; total cluster masses can also be inferred via x-ray measurements of the gas temperature, resulting in a significant constraint on the cosmological mass density parameter. S-Z Effect measurements have been further combined with x-ray imaging data, including high resolution data recently obtained with the Chandra X-ray Observatory, to estimate cluster distances and to place independent constraints on the expansion rate of the universe. We also discuss future S-Z Effect survey instruments, which will provide powerful probes of cosmology by measuring the abundance of galaxy clusters at intermediate and high redshift.

Joy, Marshall K.↗
NASA NTRS2000

Origin of the Valley Networks On Mars: A Hydrological Perspective

The geomorphology of the Martian valley networks is examined from a hydrological perspective for their compatibility with an origin by rainfall, globally higher heat flow, and localized hydrothermal systems. Comparison of morphology and spatial distribution of valleys on geologic surfaces with terrestrial fluvial valleys suggests that most Martian valleys are probably not indicative of a rainfall origin, nor are they indicative of formation by an early global uniformly higher heat flow. In general, valleys are not uniformly distributed within geologic surface units as are terrestrial fluvial valleys. Valleys tend to form either as isolated systems or in clusters on a geologic surface unit leaving large expanses of the unit virtually untouched by erosion. With the exception of fluvial valleys on some volcanoes, most Martian valleys exhibit a sapping morphology and do not appear to have formed along with those that exhibit a runoff morphology. In contrast, terrestrial sapping valleys form from and along with runoff valleys. The isolated or clustered distribution of valleys suggests localized water sources were important in drainage development. Persistent ground-water outflow driven by localized, but vigorous hydrothermal circulation associated with magmatism, volcanism, impacts, or tectonism is, however, consistent with valley morphology and distribution. Snowfall from sublimating ice-covered lakes or seas may have provided an atmospheric water source for the formation of some valleys in regions where the surface is easily eroded and where localized geothermal/hydrothermal activity is sufficient to melt accumulated snowpacks.

Gulick, Virginia C.↗
DOE OSTI2025

Optimal reconstruction of baryon acoustic oscillations for DESI 2024

Baryon acoustic oscillations (BAO) provide a robust standard ruler to measure the expansion history of the Universe through galaxy clustering. Density-field reconstruction is now a widely adopted procedure for increasing the precision and accuracy of the BAO detection. With the goal of finding the optimal reconstruction settings to be used in the DESI 2024 galaxy BAO analysis, we assess the sensitivity of the post-reconstruction BAO constraints to different choices in our analysis configuration, performing tests on blinded data from the first year of DESI observations (DR1), as well as on mocks that mimic the expected clustering and selection properties of the DESI DR1 target samples. Overall, we find that BAO constraints remain robust against multiple aspects in the reconstruction process, including the choice of smoothing scale, treatment of redshift-space distortions, fiber assignment incompleteness, and parameterizations of the BAO model. We also present a series of tests that DESI followed in order to assess the maturity of the end-to-end galaxy BAO pipeline before the unblinding of the large-scale structure catalogs.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Is the local supercluster a physical association

A quantitative measure of the degree of concentration of a sample of galaxies toward any great circle is described and applied to the Shapley-Ames and de Vaucouleurs catalogs of bright galaxies as well as to computer-simulated catalogs of galaxies. It is found that the observed distribution can be explained as the combined result of obscuration by our Galaxy, purely local clustering on angular scales of less than about 10 deg, and our proximity to a rather large and populous cluster, the Virgo cluster. In order for this interpretation to be correct, the Virgo cluster must have a mean angular radius of the order of or greater than 15 deg. This interpretation is supported by recent measurements which do not indicate any large inhomogeneities in the motions of nearby galaxy clusters and which show that the mean recessional velocity of the Virgo cluster is consistent with a uniform Hubble expansion. If the present interpretation is correct, it may be possible to determine the Hubble constant directly from measurements of individual distance indicators (such as H II regions and the brightest stars) with distance moduli less than about 32.

Bahcall, J. N.↗
NASA NTRS1986

What have we learned about galaxies through large computations?

Numerical models permit modelling processes within galaxies that are seemingly beyond the reach of physical contact or close-up viewing from different angles. N-body equations permit simple computations of the interactions of individual stars within galaxies, but the motions of these objects feature nonlinear characteristics because of the forces exerted by the complex as a whole which are not amenable to examination with Newtonian laws of force. The models have, however, revealed that thin disk galactic are not stable forms, that barlike structures rotating end-over-end are more stable structures, and that galactic contraction occurs during collisions between galaxies. Internal effects have been successfully predicted for galaxies which are part of clusters, growth rate disturbances due to the expansion of the Universe have been quantified as 2-3 percent and dynamical friction has been shown to damage galaxies which are sliding into background material.

Miller, R. H.↗
NASA NTRS1981

Stellar clustering as induced by a supernova

A possible mechanism for the fragmentation of the expanding shock wave from a supernova to form stellar clusters is considered. A model of supernova shell expansion is constructed in which the ratio of magnetic field intensity to gas density remains constant during the one-dimensional compression of the interstellar medium by the shock, and the gas and field adjust to a quasi-equilibrium within the shell following shock passage. It is shown that the quasi-equilibrium, which may be considered as an isothermal atmosphere, is unstable to a hydromagnetic instability representing a form of the Parker instability, which results in a clumping of gas at intervals on the order of parsecs. The length and time scales of the instability are consistent with the clustering of newly formed stars observed in Canis Major R1, where there is evidence for supernova-induced star formation.

Baierlein, R.↗
NASA NTRS1994

The Relationship Between Area-Time Integrals Determined from Satellite Infrared Data by Means of a Fixed-Threshold Approach and Convective Rainfall Volumes

The relationship of the rainfall from convective clouds to area-time integrals determined from satellite infrared data using a fixed infrared-temperature threshold is investigated. Concurrent radar and rapid-scan satellite data obtained during field projects in the northern High Plains and the southeastern United States were used in this study. The fixed IR threshold appropriate for each region was determined by an optimization procedure that identified the brightness threshold that yields the strongest relationship between estimated rainfall from a cloud cluster and its satellite Area-Time Integral (ATI) for each dataset. For the North Dakota-Montana area the optimization procedure indicated that the area enclosed by the -22.5 C isotherm provides satellite ATI values most closely related to the estimated rainfalls. For the southeastern United States project, the optimized tem- perature threshold was 8.5'C. The difference between the thresholds determined for the two geographic areas suggests that a different 'calibration' for each distinct area may be needed to make use of this relationship. Slopes of the two log-log rainfall-ATI regressions are less than unity, indicating that a relative horizontal expansion and/or increase in persistence of a cloud cluster exceeds the associated increase in precipitation. Implications for the Geostationary Operational Environmental Satellite precipitation index are discussed. New results concerning the rain volume-radar ATI relationship for the southeastern United States are also appended to the paper.

Johnson, L. Ronald↗
NASA NTRS1995

Fast Multipole Methods for Three-Dimensional N-body Problems

We are developing computational tools for the simulations of three-dimensional flows past bodies undergoing arbitrary motions. High resolution viscous vortex methods have been developed that allow for extended simulations of two-dimensional configurations such as vortex generators. Our objective is to extend this methodology to three dimensions and develop a robust computational scheme for the simulation of such flows. A fundamental issue in the use of vortex methods is the ability of employing efficiently large numbers of computational elements to resolve the large range of scales that exist in complex flows. The traditional cost of the method scales as Omicron (N(sup 2)) as the N computational elements/particles induce velocities at each other, making the method unacceptable for simulations involving more than a few tens of thousands of particles. In the last decade fast methods have been developed that have operation counts of Omicron (N log N) or Omicron (N) (referred to as BH and GR respectively) depending on the details of the algorithm. These methods are based on the observation that the effect of a cluster of particles at a certain distance may be approximated by a finite series expansion. In order to exploit this observation we need to decompose the element population spatially into clusters of particles and build a hierarchy of clusters (a tree data structure) - smaller neighboring clusters combine to form a cluster of the next size up in the hierarchy and so on. This hierarchy of clusters allows one to determine efficiently when the approximation is valid. This algorithm is an N-body solver that appears in many fields of engineering and science. Some examples of its diverse use are in astrophysics, molecular dynamics, micro-magnetics, boundary element simulations of electromagnetic problems, and computer animation. More recently these N-body solvers have been implemented and applied in simulations involving vortex methods. Koumoutsakos and Leonard (1995) implemented the GR scheme in two dimensions for vector computer architectures allowing for simulations of bluff body flows using millions of particles. Winckelmans presented three-dimensional, viscous simulations of interacting vortex rings, using vortons and an implementation of a BH scheme for parallel computer architectures. Bhatt presented a vortex filament method to perform inviscid vortex ring interactions, with an alternative implementation of a BH scheme for a Connection Machine parallel computer architecture.

Koumoutsakos, P.↗
NASA NTRS1988

The evolution of the system of globular clusters

The physical processes affecting the evolution of the system of globular clusters are reviewed. Aspects of internal structure evolution discussed include evaporation, core collapse, expansion, tidal shocks, and interaction with other massive components of the Galaxy such as black holes, molecular clouds, and other clusters. The evolution of orbital parameters is examined, including dynamical friction, scattering by massive subcomponents, and interactions with nearby systems. In addition, an overview of the system evolution is presented.

Ostriker, Jeremiah P.↗
DOE OSTI2026

Cluster bootstrap for cosmological correlators

We show that cosmological wavefunction coefficients associated with n-site chain and loop graphs for a cubic scalar theory in de Sitter spacetime have symbol alphabets given by subsets of A 2n−2 and B 2n−1 cluster variables, respectively, and satisfy the associated cluster adjacency properties. The key step in proving this is identifying a precise connection between graph “tubings” that appear in the kinematic flow equation and polygon “triangulations” that encode the combinatorics of cluster compatibility. Our results imply that cosmological wavefunction coefficients in a general power-law FRW cosmology satisfy cluster adjacency to all orders in the ϵ expansion around the de Sitter limit. We use this information as bootstrap input to show that de Sitter symbols for n ≤ 4 are uniquely determined by simple physical constraints.

differential and algebraic geometry↗