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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Small Al clusters. II - Structure and binding in Al(n) (n = 2-6, 13)

The structure and stability of aluminum clusters containing up to six atoms have been studied using correlated wave functions and extended basis sets. The lowest energy structure is planar for Al4 and Al5, but three dimensional for Al6. The icosahedral, hcp, fcc, and two planar structures of Al13 were considered at the SCF level. The lowest energy structure is the icosahedron, but the planar structures are fairly low lying even in this case. A simplified description using two- and three-body interaction potentials is found to agree well with the ab initio structures and binding energies.

Pettersson, Lars G. M.↗
NASA NTRS1987

On the bond distance in methane

The equilibrium bond distance in methane was optimized using coupled-pair functional and contracted CI wave functions, and a Gaussian basis that includes g-type functions on carbon and d-type functions on hydrogen. The resulting bond distance, when corrected for core-valence correlation effects, agrees with the experimental value of 2.052 a(0) to within the experimental uncertainty of 0.002 a(0). The main source of error in the best previous studies, which showed discrepancies with experiment of 0.007 a(0) is shown to be basis set incompleteness. In particular, it is important that the basis set be close to saturation, at least for the lower angular quantum numbers.

Bowen-Jenkins, Philippa↗
NASA NTRS1988

Grid generation on and about a cranked-wing fighter aircraft configuration

Experiences at the NASA Langley Research Center generating grids about a cranked wing fighter aircraft configuration is described. A single block planar grid about the fuselage and canard used with a finite difference Navier-Stokes solver is also described. A dual block nonplanar grid about the complete configuration and used with a finite volume Euler solver is presented. The very important aspect of computing the aircraft surface grid, starting with a standardized model description, is also presented.

Smith, Robert E.↗
NASA NTRS1987

A no hair theorem and the problem of initial conditions

It is shown that under very general conditions, any inhomogeneous cosmological model with a positive cosmological constant that can be described in a synchronous reference system will tend asymptotically in time towards the de Sitter solution. This renders the problem of initial conditions less severe.

Jensen, Lars Gerhard↗
NASA NTRS1987

Flow solution on a dual-block grid around an airplane

The compressible flow around a complex fighter-aircraft configuration (fuselage, cranked delta wing, canard, and inlet) is simulated numerically using a novel grid scheme and a finite-volume Euler solver. The patched dual-block grid is generated by an algebraic procedure based on transfinite interpolation, and the explicit Runge-Kutta time-stepping Euler solver is implemented with a high degree of vectorization on a Cyber 205 processor. Results are presented in extensive graphs and diagrams and characterized in detail. The concentration of grid points near the wing apex in the present scheme is shown to facilitate capture of the vortex generated by the leading edge at high angles of attack and modeling of its interaction with the canard wake.

Eriksson, Lars-Erik↗
NASA NTRS1987

Algebraic grid generation

Algebraic grid generation is the direct expression of a physical coordinate system as a function of a uniform grid in a rectangular computational coordinate system. Algebraic grid generation is based on mathematical interpolation and is presented in general terms of multivariate transfinite interpolation. The multisurface method and the two-boundary technique are described as univariate procedures that can be applied within the context of transfinite interpolation. A technique for grid clustering is described. Problems that are commonly encountered in three-dimensional grid generation are discussed and approaches for dealing with complex physical domains using multiple computational grid blocks are presented.

Smith, Robert E.↗
NASA NTRS1988

A methodology for mapping forest latent heat flux densities using remote sensing

Surface temperatures and reflectances of an upper elevation Sierran mixed conifer forest were monitored using the Thematic Mapper Simulator sensor during the summer of 1985 in order to explore the possibility of using remote sensing to determine the distribution of solar energy on forested watersheds. The results show that the method is capable of quantifying the relative energy allocation relationships between the two cover types defined in the study. It is noted that the method also has the potential to map forest latent heat flux densities.

Pierce, Lars L.↗
NASA NTRS1988

On the bond distance in methane

The equilibrium bond distance in methane has been optimized using coupled-pair functional and contracted CI wave functions, and a Gaussian basis that includes g-type functions on carbon and d-type functions on hydrogen. The resulting bond distance, when corrected for core-valance correlation effects, agrees with the experimental value of 2.052 a(0) to within the experimental uncertainty of 0.002 a(0). The main source of error in the best previous studies, which showed discrepancies with experiment of 0.007 a(0) is shown to be basis set incompleteness. In particular, it is important that the basis set be close to saturation, at least for the lower angular quantum numbers.

Bowen-Jenkins, Philippa↗
NASA NTRS1988

The computed spectrum of AlC

The low-lying (up to about 40,000/cm) doublet and quartet states of AlC have been studied at the CASSCF and MRCI levels of theory. The bonding in the X4Sigma(-) state is shown to involve three one-electron bonds. The first excited state, a 2Pi, lies about 8700/cm higher and like the X4Sigma(-) state is derived from ground state Al and C, but has a two-electron pi bond leading to a much shorter bond length.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1988

Theoretical spectrum of AlN

Theoretical spectroscopic constants and radiative lifetimes are presented for the low-lying electronic states of AlN and AlN(+). The ground state of AlN is predicted to be X 3Pi, in agreement with earlier theoretical calculations, but the A 3Pi- state is extremely low-lying. The near degeneracy of these states is analogous to the situation for Al2 and implies that sigma and pi bonds are of nearly equal strength. The 3Pi - 3Pi AlN band system observed in emission is assigned as the C 3Pi - X 3Pi transition. The C 3Pi radiative lifetime is estimated as 151, 163, and 175 ns for v-prime = 0, 1, 2 respectively. These lifetimes may be significantly shortened by dissociation by the (1) 5Pi stated. The calculated D(e) of 2.35 eV for the ground state is about half that of the isovalent BN molecule. Thus the bonding in AlN is significantly weaker than for BN owing to the smaller overlaps of the valence orbitals.

Langhoff, Stephen R.↗
NASA NTRS1988

P-Cygni features and photospheric velocities

The photospheric velocities implied from the P-Cygni features of H-alpha, H-beta, and H-gamma in SN 1987A differ. This implies that the 'photosphere' relevant to P-Cygni formation may be frequency dependent. To obtain a P-Cygni feature from above a fixed surface, the photons leaving there must not undergo other frequency dependent absorption processes (bound-free or free-free) or be smeared in frequency due to multiple Thomson scattering. The paper delineates different regimes when the frequency dependence of this surface should be manifest, and those when it would not be.

Bildsten, Lars↗
NASA NTRS1989

Theoretical spectroscopic constants for the low-lying states of the oxides and sulfides of Mo and Tc

Spectroscopic results were determined for the ground and low-lying states of the oxides and sulfides of Mo and Tc, using the single-reference-based modified coupled pair functional method of Ahlrichs et al. (1985) and Chong et al. (1986) and the multireference-based state-averaged CASSCF/MRCI method. Spectroscopic constants, dipole moments, Mulliken populations, and radiative lifetimes were calculated for selected low-lying states of these molecular systems. The spectroscopy of the MoS and TcS molecules was found to be quite analogous to the corresponding oxides.

Langhoff, Stephen R.↗
NASA NTRS1989

Geopotential coefficient determination and the gravimetric boundary value problem: A new approach

New integral formulas to determine geopotential coefficients from terrestrial gravity and satellite altimetry data are given. The formulas are based on the integration of data over the non-spherical surface of the Earth. The effect of the topography to low degrees and orders of coefficients is estimated numerically. Formulas for the solution of the gravimetric boundary value problem are derived.

Sjoeberg, Lars E.↗
NASA NTRS1990

Remote sensing of temperate coniferous forest lead area index - The influence of canopy closure, understory vegetation and background reflectance

Consideration is given to the effects of canopy closure, understory vegetation, and background reflectance on the relationship between Landsat TM data and the leaf area index (LAI) of temperate coniferous forests in the western U.S. A methodology for correcting TM data for atmospheric conditions and sun-surface-sensor geometry is discussed. Strong inverse curvilinear relationships were found between coniferous forest LAI and TM bands 3 and 5. It is suggested that these inverse relationships are due to increased reflectance of understory vegetation and background in open stands of lower LAI and decreased reflectance of the overstory in closed canopy stands with higher LAI.

Spanner, Michael A.↗
NASA NTRS1990

On the dissociation energy of Mg2

The bonding in the X 1Sigma(+)g state of Mg2 is investigated using near-complete valence one-particle Slater and Gaussian basis sets containing up to h functions. It is shown that the four-electron complete CI limit can be approached using a sequence of either second-order CI (SOCI) or interacting correlated fragment (ICF) calculations. At the valence level, the best estimate of the dissociation energy D(e) was 464/cm. This is a lower limit and is probably within 5/cm of the complete basis value.

Partridge, Harry↗
NASA NTRS1990

Remote detection of canopy water stress in coniferous forests using the NS001 Thematic Mapper Simulator and the thermal infrared multispectral scanner

Water stress was induced in two coniferous forest stands in West Germany by severing tree sapwood. Leaf water potential, Psi(L), measurements indicated that maximum, naturally occurring levels of water stress developed in the stressed plots while control plots exhibited natural diurnal trends. Images of each site were obtained with the Thematic Mapper Simulator (NS001) and the Thermal Infrared Multispectral Scanner (TIMS) 12 to 15 days after stress induction. NS001 bands 2 to 6, NS001 indices combining bands 4 and 6, and NS001 and TIMS thermal bands showed significant radiance differences between stressed and control plots when large differences in Psi(L) and relative water content (RWC) existed during the morning overflights at Munich. However, the NS001 and TIMS sensors could not detect the slightly smaller differences in Psi(L) and RWC during the Munich afternoon and Frankfurt overflights. The results suggest that routine detection of canopy water stress under operational conditions is difficult utilizing current sensor technology.

Pierce, Lars L.↗
NASA NTRS1989

Analysis of forest disturbance using TM and AVHRR data

A methodology that will be used to determine the proportions of undisturbed, successional vegetation and recently disturbed land cover within coniferous forests using remotely sensed data from the advanced very high resolution radiometer (AVHRR) is presented. The method uses thematic mapper (TM) data to determine the proportions of the three stages of forest disturbance and regrowth for each AVHRR pixel in the sample areas, and is then applied to interpret all AVHRR imagery. Preliminary results indicate that there are predictable relationships between TM spectral response and the disturbance classes. Analysis of ellipse plots from a TM classification of the disturbed forested landscape indicates that the forest classes are separable in the red (0.63-0.69 micron) and near-infrared (0.76-0.90 micron) bands, providing evidence that the proportion of disturbance classes may be determined from AVHRR data.

Spanner, Michael A.↗
NASA NTRS1990

The seasonality of AVHRR data of temperate coniferous forests - Relationship with leaf area index

The relationship between the advanced very high resolution radiometer (AVHRR) normalized difference vegetation index (NDVI) and coniferous forest leaf area index (LAI) over the western United States is examined. AVHRR data from the NOAA-9 satellite were acquired of the western U.S. from March 1986 to November 1987 and monthly maximum value composites of AVHRR NDVI were calculated for 19 coniferous forest stands in Oregon, Washington, Montana, and California. It is concluded that the relationships under investigation vary according to seasonal changes in surface reflectance based on key biotic and abiotic controls including phenological changes in LAI caused by seasonal temperature and precipitation variations, the proportions of surface cover types contributing to the overall reflectance, and effects resulting from large variations in the solar zenith angle.

Spanner, Michael A.↗