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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Development of New Open-Shell Perturbation and Coupled-Cluster Theories Based on Symmetric Spin Orbitals

A new spin orbital basis is employed in the development of efficient open-shell coupled-cluster and perturbation theories that are based on a restricted Hartree-Fock (RHF) reference function. The spin orbital basis differs from the standard one in the spin functions that are associated with the singly occupied spatial orbital. The occupied orbital (in the spin orbital basis) is assigned the delta(+) = 1/square root of 2(alpha+Beta) spin function while the unoccupied orbital is assigned the delta(-) = 1/square root of 2(alpha-Beta) spin function. The doubly occupied and unoccupied orbitals (in the reference function) are assigned the standard alpha and Beta spin functions. The coupled-cluster and perturbation theory wave functions based on this set of "symmetric spin orbitals" exhibit much more symmetry than those based on the standard spin orbital basis. This, together with interacting space arguments, leads to a dramatic reduction in the computational cost for both coupled-cluster and perturbation theory. Additionally, perturbation theory based on "symmetric spin orbitals" obeys Brillouin's theorem provided that spin and spatial excitations are both considered. Other properties of the coupled-cluster and perturbation theory wave functions and models will be discussed.

Lee, Timothy J.↗
NASA NTRS1978

Theoretical study of CO chemisorption on nickel and copper surfaces

A comparative study of the chemisorption of CO on Ni(001) and Cu(001) surfaces has been performed. The study is based on an analysis of the electronic structure of (M)5CO clusters obtained from self-consistent field X alpha scattered-wave calculations. The electron orbital formed principally by the 5 sigma orbital on CO was found to be mainly responsible for the bonding of the CO molecule to the metal surface for both the CO/Ni and CO/Cu systems. The different occupation of the antibonding 7 a sub 1 orbital in the two clusters is believed to be the major reason for the large difference observed in the measured heats of adsorption of CO on Ni and Cu surfaces. It was found also that metal atoms transfer electronic charge to the antibonding pi(asterisk)-like orbital of CO. A possible correlation between the amount of the charge transfered and the relative ease of dissociation of CO molecules on metal surfaces is discussed.

Yu, H. L.↗
NASA NTRS1978

Early stages of the oxidation of metal surfaces

Photoemission cross sections were calculated for the ZnO4(-6) cluster using the self consistent-chi alpha- scattered wave theory to display the main features of the ultraviolet and X-ray photoemission data from ZnO. A solid model is suggested for an absolute photoemission intensity comparison resulting in chi alpha intensities which are roughly 70% of the experimental values. Together with the experimental data, the calculations allow a complete determination of the electronic structure of a ZnO surface.

Gatos, H. C.↗
NASA NTRS1990

Luminosity-velocity diagrams for Virgo Cluster spirals. I - Inner rotation curves

Optical rotation curves are presented for the innermost portions of nine spiral galaxies in the Virgo Cluster. The emission-line (H-alpha and forbidden N II) velocity data are to be used in combination with new CCD photometry to construct luminosity-velocity diagrams, in a continuing investigation of an apparent initial linear branch and its potential as a distance indicator. Compared to recent H I data, the present optical rotation curves generally show systematically steeper inner gradients. This effect is ascribed to the poorer resolution of the H I data and/or to holes in the gas distribution.

Woods, David↗
NASA NTRS1997

Electron-Temperature Dependence of the Recombination of NH4(+)((NH3)(sub n) Ions with Electrons

The two-body recombination of NH4(+)(NH3)(sub 2,3) cluster-ions with electrons has been studied in an afterglow experiment in which the electron temperature T, was elevated by radio-frequency heating from 300 K up to 900 K. The recombination coefficients for the n = 2 and n = 3 cluster ions were found to be equal, alpha(sub 2, sup(2)) = alpha(sub 3, sup(2)) = (4.8 +/- 0.5) x 10(exp - 6)cu cm/s, and to vary with electron temperature as T(sub c, sup -0.65) rather than to be nearly temperature-independent as had been inferred from measurements in microwave-heated plasmas.

Skrzypkowski, M. P.↗
NASA NTRS2000

From Stars to Super-Planets: The Low-Mass IMF in the Young Cluster IC348

We investigate the low-mass population of the young cluster IC348 down to the deuterium-burning limit, a fiducial boundary between brown dwarf and planetary mass objects, using a new and innovative method for the spectral classification of late-type objects. Using photometric indices, constructed from HST/NICMOS narrow-band imaging, that measure the strength of the 1.9 micron water band, we determine the spectral type and reddening for every M-type star in the field, thereby separating cluster members from the interloper population. Due to the efficiency of our spectral classification technique, our study is complete from approximately 0.7 solar mass to 0.015 solar mass. The mass function derived for the cluster in this interval, dN/d log M alpha M(sup 0.5), is similar to that obtained for the Pleiades, but appears significantly more abundant in brown dwarfs than the mass function for companions to nearby sun-like stars. This provides compelling observational evidence for different formation and evolutionary histories for substellar objects formed in isolation vs. as companions. Because our determination of the IMF is complete to very low masses, we can place interesting constraints on the role of physical processes such as fragmentation in the star and planet formation process and the fraction of dark matter in the Galactic halo that resides in substellar objects.

Najita, Joan R.↗
NASA NTRS1990

A search for novae in M 31 globular clusters

By combining a local sky-fitting algorithm with a Fourier point-spread-function matching technique, nova outbursts have been searched for inside 54 of the globular clusters contained on the Ciardullo et al. (1987 and 1990) H-alpha survey frames of M 31. Over a mean effective survey time of about 2.0 years, no cluster exhibited a magnitude increase indicative of a nova explosion. If the cataclysmic variables (CVs) contained within globular clusters are similar to those found in the field, then these data imply that the overdensity of CVs within globulars is at least several times less than that of the high-luminosity X-ray sources. If tidal capture is responsible for the high density of hard binaries within globulars, then the probability of capturing condensed objects inside globular clusters may depend strongly on the mass of the remnant.

Ciardullo, Robin↗
NASA NTRS1992

Further evidence for a color gradient in M15

Using data obtained at the Canada-France-Hawaii Telescope (CFHT) in subarcsecond seeing color maps are constructed in B - V and H-alpha - R of the central regions of the globular cluster M15. Comparison in B - V of the region within 0.31 pc of the cluster center with a coadded sample taken from the surrounding region demonstrates a color gradient, in the sense that the central region is bluer than the surrounding region at a high level of statistical significance. Analysis of the H-alpha - R color map indicates that the central region is 'H-alpha deficient', i.e., has a stronger H-alpha absorption line on average than the coadded region. This result argues against the possibility that the excess blue light from the central region is due to cataclysmic variables. Instead, two possible causes of the color gradient are (1) it may be due to a centrally concentrated population of faint blue stars, possibly resulting from binary-single star interactions, and (2) it may result from a central deficit of low-mass main-sequence stars.

Cederbloom, S. E.↗
NASA NTRS1984

X-ray spectra of clusters of galaxies

The X-ray emission from luminous clusters of galaxies is dominated by thermal bremsstrahlung from an intergalactic medium. The central density of the gas is strongly correlated with the X-ray surface brightness. The X-ray surface brightness S(sigma) of many clusters is well modeled by a law of the form S(sigma) alpha S(o) 1 + R(2)/A(2) to the minus 3 beta + 1/2 power with beta approximately equal to 0.66. However, this model does not fit the X-ray spectral or optical galaxy counts well. In clusters with cooling flows in their center there is a strong correlation between the cooling rates of X-ray emitting material and optical H alpha emission. It is not clear, at present, what percentage of the virial mass of the cluster is in hot gas but if beta = 0.66, it is possible for the values to be of the order of 1/2. Spatially resoled X-ray spectroscopy is necessary to determine this value with any accuracy.

Mushotzky, R. F.↗
DOE OSTI2021

A stable low-temperature H 2 -production catalyst by crowding Pt on α-MoC

The water-gas shift (WGS) reaction is an industrially important source of pure hydrogen (H 2 ) at the expense of carbon monoxide and water. This reaction is of interest for fuel-cell applications, but requires WGS catalysts that are durable and highly active at low temperatures. Here we demonstrate that the structure (Pt 1 Pt n )/α-MoC, where isolated platinum atoms (Pt 1 ) and subnanometre platinum clusters (Pt-n) are stabilized on alpha-molybdenum carbide (α-MoC), catalyses the WGS reaction even at 313 kelvin, with a hydrogen-production pathway involving direct carbon monoxide dissociation identified. We find that it is critical to crowd the α-MoC surface with Pt 1 and Pt n species, which prevents oxidation of the support that would cause catalyst deactivation, as seen with gold/α-MoC, and gives our system high stability and a high metal-normalized turnover number of 4,300,000 moles of hydrogen per mole of platinum. We anticipate that the strategy demonstrated here will be pivotal for the design of highly active and stable catalysts for effective activation of important molecules such as water and carbon monoxide for energy production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Metal abundances of RR Lyrae stars in galactic globular clusters

Results are reported for image-tube scanner measurements of Preston's (1959) metal-abundance indicator and metallic-line absorption in the G-band region (4285 to 4317 A) of 47 RR Lyrae stars in 12 galactic globular clusters and 67 RR Lyrae field stars. The relationship (Fe/H) is defined and determined from curve-of-growth analyses of 13 RR Lyrae field stars, while a comparison of metal-abundance vs metallic-line absorption relationships derived for the field and cluster stars indicates that both groups can be calibrated in the same way. Based on this calibration, (Fe/H) values are deduced for the globular-cluster stars and the clusters themselves. It is found that the alpha-rich phenomenon is present in these stars and is confined to calcium and titanium.

Butler, D.↗
NASA NTRS1991

Discovery of a Ly-alpha galaxy near a damped Ly-alpha absorber at z = 2.3

The detection of a galaxy associated with the damped Ly-alpha absorbing cloud seen at z = 2.309 toward the QSO PHL 957 is reported. In addition to a strong but narrow Ly-alpha emission line and weaker C IV and He II lines, the object shows continuum at V about 24, with a slope rising slightly toward the red. This is similar to what is seen in high-redshift radio galaxies, but this galaxy does not correspond to any known radio source. The detected emission lines and continuum are most easily interpreted as light from hot, recently formed stars, implying a sizable star formation rate and a scarcity of dust. The spatial correlation of the absorbing cloud and the companion galaxy supports the interpretation of damped Ly-alpha clouds as objects fundamentally different from the lower column density Ly-alpha forest clouds, which show weak or no clustering.

Lowenthal, James D.↗
NASA NTRS1987

Phylogenetic diversity and position of the genus Campylobacter

RNA sequence analysis has been used to examine the phylogenetic position and structure of the genus Campylobacter. A complete 5S rRNA sequence was determined for two strains of Campylobacter jejuni and extensive partial sequences of the 16S rRNA were obtained for several strains of C. jejuni and Wolinella succinogenes. In addition limited partial sequence data were obtained from the 16S rRNAs of isolates of C. coli, C. laridis, C. fetus, C. fecalis, and C. pyloridis. It was found that W. succinogenes is specifically related to, but not included, in the genus Campylobacter as presently constituted. Within the genus significant diversity was noted. C. jejuni, C. coli and C. laridis are very closely related but the other species are distinctly different from one another. C. pyloridis is without question the most divergent of the Campylobacter isolates examined here and is sufficiently distinct to warrant inclusion in a separate genus. In terms of overall position in bacterial phylogeny, the Campylobacter/Wolinella cluster represents a deep branching most probably located within an expanded version of the Division containing the purple photosynthetic bacteria and their relatives. The Campylobacter/Wolinella cluster is not specifically includable in either the alpha, beta or gamma subdivisions of the purple bacteria.

NASA Discipline Exobiology↗
NASA NTRS1997

Lithium Abundances in the Young Open Cluster IC 2602

We have obtained high-resolution spectra for 28 candidate late-type stars in the 30 Myr old cluster IC 2602. NLTE Li abundances have been derived from measured equivalent widths. The log n(Li) - T(sub eff) and log n(Li) - mass distributions for our sample stars have been compared with those of the Pleiades and alpha Persei. Our data show that F stars in the three clusters have the same lithium content, which corresponds to the initial content for Pop. I stars. G and early-K IC 2602 stars are, on average, somewhat more Li-rich than their counterparts in the two slightly older clusters. Finally, the latest-type IC 2602 stars are heavily Li depleted, with their Li content being as low as the lowest measured among the Pleiades. As in the Pleiades and alpha Per, a star-to-star scatter in lithium is observed among 30 Myr old late-K/early-K dwarfs in IC 2602, indicating that this spread develops in the pre-main sequence phases.

Randich, S.↗
NASA NTRS1990

Images in the rocket ultraviolet - Young clusters in H II regions of M83

UV images of M83 at 1540 and 2360 A reveal 18 compact sources that are associated with H II regions. E(B - V) values were estimated individually from the observed UV and optical colors and the Galactic UV extinction curve, using theoretical flux distributions. The dereddened colors are consistent with ages up to 3 x 10 to the 6th yr. A maximum possible age of 6.5 x 10 to the 6th yr is obtained assuming foreground reddening only. The distribution of observed colors is consistent with the Galactic reddening curve but not with enhanced far-UV extinction, as in the LMC 30 Dor curve. The H-alpha fluxes suggest either that dust within the H II regions absorbs up to 70 percent of the Lyman continuum radiation or that a similar fraction of the H-alpha flux is below the surface brightness detection limit. Cluster mass estimates depend on the range of stellar masses present but are probably in the range 10,000-100,000 solar masses.

Bohlin, Ralph C.↗
NASA NTRS1994

The cosmological dependence of cluster density profiles

We use N-body simulations to study the shape of mean cluster density and velocity profiles in the nonlinear regime formed via gravitational instability. The dependence of the final structure on both cosmology and initial density field is examined, using a grid of cosmologies and scale-free initial power spectra P(k) varies as k(exp n). Einstein-de Sitter, open (Omega(sub 0) = 0.2 and 0.1) and flat, low density (Omega(sub 0) = 0.2 lambda(sub 0) = 0.8) models are examined, with initial spectral indices n = -2, -1 and 0. For each model, we stack clusters in an appropriately scaled manner to define an average density profile in the nonlinear regime. The profiles are well fit by a power law rho(r) varies as r(exp -alpha) for radii whereat the local density contrast is between 100 and 3000. This covers 99% of the cluster volume. We find a clear trend toward steeper slopes (larger alphas) with both increasing n and decreasing Omega(sub 0). The Omega(sub 0) dependence is partially masked by the n dependence; there is degeneracy in the values of alpha between the Einstein-de Sitter and flat, low-density cosmologies. However, the profile slopes in the open models are consistently higher than the Omega = 1 values for the range of n examined. Cluster density profiles are thus potentially useful cosmological diagnostics. We find no evidence for a constant density core in any of the models, although the density profiles do tend to flatten at small radii. Much of the flattening is due to the force softening required by the simulations. An attempt is made to recover the unsoftened profiles assuming angular momentum invariance. The recovered profiles in Einstein-de Sitter cosmologies are consistent with a pure power law up to the highest density contrasts (10(exp 6)) accessible with our resolution. The low-density models show significant deviation from a power law above density contrasts approximately 10(exp 5). We interpret this curvature as reflecting the non-scale-invariant nature of the background cosmology in these models. These results are at the limit of our resolution and so should be tested in the future using simulations with larger numbers of particles. Such simulations will also provide insight on the broader problem of understanding, in a statistical sense, the full phase space structure of collapsed, cosmological halos.

Crone, Mary M.↗
NASA NTRS2023

Reconfigurations in Brain Networks Upon Awakening From Slow Wave Sleep: Interventions and Implications in Neural Communication

Sleep inertia is the brief period of impaired alertness and performance experienced immediately after waking. Little is known about the neural mechanisms underlying this phenomenon. A better understanding of the neural processes during sleep inertia may offer insight into the awakening process. We observed brain activity every 15 min for 1 hr following abrupt awakening from slow wave sleep during the biological night. Using 32-channel electroencephalography, a network science approach, and a within-subject design, we evaluated power, clustering coefficient, and path length across frequency bands under both a control and a polychromatic short-wavelength-enriched light intervention condition. We found that under control conditions, the awakening brain is typified by an immediate reduction in global theta, alpha, and beta power. Simultaneously, we observed a decrease in the clustering coefficient and an increase in path length within the delta band. Exposure to light immediately after awakening ameliorated changes in clustering. Our results suggest that long-range network communication within the brain is crucial to the awakening process and that the brain may prioritize these long-range connections during this transitional state. Our study highlights a novel neurophysiological signature of the awakening brain and provides a potential mechanism by which light improves performance after waking.

EEG↗
NASA NTRS1979

Bonding of nitrogen atoms on Cu/001/ surfaces - A cluster approach

A study of the chemisorption of nitrogen atoms on a copper surface has been performed, based on an analysis of the electronic structure of the Cu5N cluster obtained from self-consistent-field X-alpha scattered-wave calculations. Calculations show that the chemisorption of nitrogen on Cu(001) surfaces induces peaks below and above the Cu d-band region in the total density of states curve. The bonding orbitals formed between the N 2p and the Cu valence orbitals are generally found near the bottom of the Cu d-band region, while the antibonding orbitals formed between the N 2p and Cu orbitals are found to lie above the Cu d-band region. These hybridized orbitals involving the N 2p orbital gave a satisfactory interpretation of the adsorbate-induced structure reported in N/Cu(001) ultraviolet photoemission studies.

Yu, H. L.↗