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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Application of ion-induced nucleation mass spectrometry in the analysis of trace gases evolved from a polyimide film during the thermal curing stages

Trace gases evolved from a polyimide film during its thermal curing stages have been studied using ion-induced nucleation mass spectrometry. The technique involved exposing the test gas sample to a low energy beta source and recording the masses of the ion-induced molecular clusters formed in the reaction chamber. On the basis of the experimentally observed molecular cluster spectra, it has been concluded that the dominant trace component had a molecular weight of 87 atomic mass units. This component has been identified as a molecule of dimethylacetamide (DMAC) which had been used as a solvent in the preparation of the test polyimide specimen. This identification has been further confirmed by comparing the spectra of the test gas sample and the DMAC calibration sample obtained with a conventional mass spectrometer. The advantages of the ion-induced nucleation mass spectrometer versus the conventional mass spectrometer are discussed.

Smith, A. C.↗
NASA NTRS1990

A model for the infrared emission from an OB star cluster environment

Researchers developed an interactive radiative transfer code that predicts the infrared emission from an HII region containing diffuse ionized and atomic gas and dense molecular clouds. This model complements the investigation of the redistribution of OB star luminosity in the interstellar medium (Leisawitz and Hauser 1988, Ap. J., 332, 954). The model can be used as a diagnostic tool to probe the radiation field and matter density in an HII region, place constraints on the proximity and orientation of an illuminated molecular cloud with respect to the ionizing stars, test for the presence of small, transiently heated dust grains, and determine whether the dust-to-gas ratio is normal. Predictions of the model agree qualitatively and quantitatively with observations of blister-type HII regions ionized by well-studied OB clusters in which the distribution of dense neutral material is known. This is illustrated by a model for Infrared Astronomy Satellite (IRAS) observations of the region around NGC 7380 (S142). Researchers plan to use the model in a survey of regions of massive star formation in the outer Galaxy to study OB stars embedded to various degrees in their parental molecular clouds.

Leisawitz, D.↗
NASA NTRS1988

Prospects for exploring the local galaxies through the study of their high-energy gamma-ray emission

In the near future, high-energy (E greater than 20 MeV) gamma-ray astronomy offers the promise of a new means of examining the closest galaxies. Three local galaxies, the SMCs, LMCs, and M31, should be visible to the high-energy gamma-ray telescope on the Gamma Ray Observatory and the first two should be seen by GAMMA-1. It is expected that the intensity and the structure of both of the Magellanic Clouds can be examined in sufficient detail to study the cosmic-ray density and its variation, and, thereby, to determine the relevant scale of coupling for the cosmic rays and diffuse matter. With the assumptions of adequate sources and reasonable magnetic field strengths, both of which should likely be satisfied, very specific predictions of the gamma-ray emission can be made separating the three current cosmic-ray containment concepts, namely that it is on the scale of one to a few kiloparsec mass clustering, the whole galaxy, or some much larger scale. Further, because of the markedly different distributions of molecular and atomic hydrogen in the galaxies and the differences between the galaxies, an independent measure of the normalization of the diffuse molecular hydrogen density is possible.

Ozel, Mehmet E.↗
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 NTRS1993

Development of a molecular beam technique to study early solar system silicon reactions

Silicon monoxide is one of the major gas phase silicon bearing components observed in astronomical environments. Silicon oxide serves as the major rock forming material for terrestrial and meteoritic bodies. It is known that several gas phase reactions produce mass independent isotopic fractionations which possess the same delta(O-17)/delta(O-18) ratio observed in Allende inclusions. The general symmetry dependence of the chemically produced mass independent isotopic fractionation process suggests that there are several plausible reactions which could occur in the early solar system which may lead to production of the observed meteoritic oxygen isotopic anomalies. An important component in exploring the role of such processes is the need to experimentally determine the isotopic fractionations for specific reactions of relevance to the early solar system. It has already been demonstrated that atomic oxygen reaction with CO, a major nebular oxygen bearing species, produces a large (approximately 90 percent), mass independent isotopic fractionation. The next hurdle regarding assessing the involvement of symmetry dependent isotopic fractionation processes in the pre-solar nebula is to determine isotopic fractionation factors associated with gas phase reactions of metallic oxides. In particular, a reaction such as O + SiO yields SiO2 is a plausible nebular reaction which could produce a delta(O-17) is approximately delta(O-18) fractionation based upon molecular symmetry considerations. While the isotopic fractionations during silicate evaporation and condensation have been determined, there are no isotopic studies of controlled, gas phase nucleation processes. In order to carefully control the reaction kinetics, a molecular beam apparatus has been constructed. This system produces a supersonic, collimated beam of SiO molecules which is reacted with a second beam of oxygen atoms. An important feature of molecular beams is that they operate at sufficiently low pressures and high temperatures in the jet that avalanche nucleation and clustering processes may be avoided.

Dong, Q. W.↗
NASA NTRS1987

Submillimeter and far infrared line observations of M17 SW: A clumpy molecular cloud penetrated by UV radiation

Millimeter, submillimeter, and far infrared spectroscopic observations of the M17 SW star formation region are discussed. The results require the molecular cloud near the interface to be clumpy or filamentary. As a consequence, far ultraviolet radiation from the central OB stellar cluster can penetrate into the dense molecular cloud to a depth of several pc, thus creating bright and extended (CII) emission from the photodissociated surfaces of dense atomic and molecular clumps or sheets. The extended (CII) emission throughout the molecular cloud SW of the M17 complex has a level 20 times higher than expected from a single molecular cloud interface exposed to an ultraviolet radiation field typical of the solar neighborhood. This suggests that the molecular cloud as a whole is penetrated by ultraviolet radiation and has a clumpy or filamentary structure. The number of B stars expected to be embedded in the M17 molecular cloud probably can provide the UV radiation necessary for the extended (CII) emission. Alternatively, the UV radiation could be external, if the interstellar radiation in the vicinity of M17 is higher than in the solar neighborhood.

Stutzki, J.↗
NASA NTRS2009

Multiscale Computer Simulation of Tensile and Compressive Strain in Polymer- Coated Silica Aerogels

While the low thermal conductivities of silica aerogels have made them of interest to the aerospace community as lightweight thermal insulation, the application of conformal polymer coatings to these gels increases their strength significantly, making them potentially useful as structural materials as well. In this work we perform multiscale computer simulations to investigate the tensile and compressive strain behavior of silica and polymer-coated silica aerogels. Aerogels are made up of clusters of interconnected particles of amorphous silica of less than bulk density. We simulate gel nanostructure using a Diffusion Limited Cluster Aggregation (DLCA) procedure, which produces aggregates that exhibit fractal dimensions similar to those observed in real aerogels. We have previously found that model gels obtained via DLCA exhibited stress-strain curves characteristic of the experimentally observed brittle failure. However, the strain energetics near the expected point of failure were not consistent with such failure. This shortcoming may be due to the fact that the DLCA process produces model gels that are lacking in closed-loop substructures, compared with real gels. Our model gels therefore contain an excess of dangling strands, which tend to unravel under tensile strain, producing non-brittle failure. To address this problem, we have incorporated a modification to the DLCA algorithm that specifically produces closed loops in the model gels. We obtain the strain energetics of interparticle connections via atomistic molecular statics, and abstract the collective energy of the atomic bonds into a Morse potential scaled to describe gel particle interactions. Polymer coatings are similarly described. We apply repeated small uniaxial strains to DLCA clusters, and allow relaxation of the center eighty percent of the cluster between strains. The simulations produce energetics and stress-strain curves for looped and nonlooped clusters, for a variety of densities and interaction parameters.

Good, Brian↗
NASA NTRS1995

Moderate-resolution spectral standards from lambda 5600 to lambda 9000

We present a grid of stellar classification spectra of moderate resolution (R approximately 1500) in the range lambda lambda 5600-9000 A, compiled from high signal-to noise spectra of 275 stars, most in the open clusters Praesepe and M67. The grid covers dwarfs from types B8 through M5, giants from G8 through M7, and subgiants from F5 through K0. We catalog atomic and molecular absorption features useful for stellar classification, and demonstrate the use of luminosity-sensitive features to distinguish between late-type dwarf and giant stars. The entire database is made available in digital format on anonymous ftp and through the World Wide Web.

Allen, Lori E.↗
NASA NTRS1980

Time correlation functions in classical dense fluids

The velocity autocorrelation functions and memory functions of dense classical fluids may be directly obtained from the static radial distribution function g(r) in an approximate way. Following the Mori projection operator formalism, the memory functions may be related to the fluctuating force correlation. At low densities, these functions may be evaluated by following the trajectories of particle pairs in the interatomic potential. At higher densities, the force correlation functions can be evaluated approximately from particle pair trajectories via the potential of the mean force. The results for argon fluids at various densities and temperatures agree satisfactorily with the molecular dynamics and the Enskog values. The decrease of the diffusion coefficient with density is partly due to the nature of g(r) which reflects the stronger clustering of atoms at higher densities.

Tsang, T.↗
NASA NTRS1985

Balloon-borne three-meter telescope for far-infrared and submillimeter astronomy

Presented are scientific objectives, engineering analysis and design, and results of technology development for a Three-Meter Balloon-Borne Far-Infrared and Submillimeter Telescope. The scientific rationale is based on two crucial instrumental capabilities: high angular resolution which approaches eight arcseconds at one hundred micron wavelength, and high resolving power spectroscopy with good sensitivity throughout the telescope's 30-micron to 1-mm wavelength range. The high angular resolution will allow us to resolve and study in detail such objects as collapsing protostellar condensations in our own galaxy, clusters of protostars in the Magellanic clouds, giant molecular clouds in nearby galaxies, and spiral arms in distant galaxies. The large aperture of the telescope will permit sensitive spectral line measurements of molecules, atoms, and ions, which can be used to probe the physical, chemical, and dynamical conditions in a wide variety of objects.

Fazio, G. G.↗
NASA NTRS1981

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

The application of ab initio quantum mechanical approaches in the study of metal atom clusters requires simplifying techniques that do not compromise the reliability of the calculations. Various aspects of the implementation of the effective core potential (ECP) technique for the removal of the metal atom core electrons from the calculation were examined. The ECP molecular integral formulae were modified to bring out the shell characteristics as a first step towards fulfilling the increasing need to speed up the computation of the ECP integrals. Work on the relationships among the derivatives of the molecular integrals that extends some of the techniques pioneered by Komornicki for the calculation of the gradients of the electronic energy was completed and a formulation of the ECP approach that quite naturally unifies the various state-of-the-art "shape- and Hamiltonian-consistent" techniques was discovered.

Kahn, L. R.↗
NASA NTRS1998

Computational Studies of the Interaction of H/H2 with Diamond and Silicon Surfaces

The interaction of hydrogen atoms and molecules with diamond and silicon surfaces is important in several important applications. Two areas that we are interested are: 1) tribology (molecular level friction) and 2) the role of H atoms in silicon chemical vapor deposition (CVD). In the tribology area, H atoms can be used to tie off dangling bonds, which otherwise form bonds between adjacent surfaces, and lead to resistance to sliding the surfaces by each other. Processes which are important in understanding molecular level friction include barriers to addition of H/H2 to the surface and barriers to migration of H atoms on the surface. In the silicon CVD area, we have studied the process of H2 elimination from the 100 surface of silicon. Cluster models for the dime surfaces of diamond are presented. The unrelaxed 100 surface has carbene like surface carbon atoms; however, for the relaxed surface these dimerize to give rows of surface dimers and there is a significant amount of p bonding between the radical orbitals of the dimer. The 110 surface has zig-zag rows of carbon atoms with a dangling bond on each carbon atom. These dangling bonds are hybridized away from each other and thus interact less strongly than for the 100 surface. Finally, the 111 surface has surface C atoms arranged in a triangular pattern and the surface dangling bonds are well separated from each other (second nearest neighbor distance) leading to almost no interaction between adjacent dangling bonds. These qualitative features may be quantified by computing the overlap of adjacent dangling bonds in a GVB(pp) calculation. The overlaps are 0.462, 0.292, and 0.016 for the diamond 100, 110, and 111 surfaces, respectively.

Walch, Stephen P.↗
NASA NTRS1981

The extinction toward the galactic center from observations of interstellar lines

H2CO absorption observations against Sgr A are used to select the molecular material lying in front of the galactic center, and an analysis similar to that of Blitz and Shu (1980) is carried out. The ratio of visual extinction to equivalent width of the 6 cm line of H2CO is found to be similar for several nearby interstellar clouds. By considering only the molecular components in front of the infrared cluster, the estimate for the extinction is decreased to 15-46 mag. These results are consistent with those from infrared observations toward the galactic center. Extinction estimates based on other interstellar species are also considered. Atomic gas is seen as contributing less than 10 mag of extinction.

Federman, S. R.↗
NASA NTRS1996

Computational Nanotechnology at NASA Ames Research Center, 1996

Some forms of nanotechnology appear to have enormous potential to improve aerospace and computer systems; computational nanotechnology, the design and simulation of programmable molecular machines, is crucial to progress. NASA Ames Research Center has begun a computational nanotechnology program including in-house work, external research grants, and grants of supercomputer time. Four goals have been established: (1) Simulate a hypothetical programmable molecular machine replicating itself and building other products. (2) Develop molecular manufacturing CAD (computer aided design) software and use it to design molecular manufacturing systems and products of aerospace interest, including computer components. (3) Characterize nanotechnologically accessible materials of aerospace interest. Such materials may have excellent strength and thermal properties. (4) Collaborate with experimentalists. Current in-house activities include: (1) Development of NanoDesign, software to design and simulate a nanotechnology based on functionalized fullerenes. Early work focuses on gears. (2) A design for high density atomically precise memory. (3) Design of nanotechnology systems based on biology. (4) Characterization of diamonoid mechanosynthetic pathways. (5) Studies of the laplacian of the electronic charge density to understand molecular structure and reactivity. (6) Studies of entropic effects during self-assembly. Characterization of properties of matter for clusters up to sizes exhibiting bulk properties. In addition, the NAS (NASA Advanced Supercomputing) supercomputer division sponsored a workshop on computational molecular nanotechnology on March 4-5, 1996 held at NASA Ames Research Center. Finally, collaborations with Bill Goddard at CalTech, Ralph Merkle at Xerox Parc, Don Brenner at NCSU (North Carolina State University), Tom McKendree at Hughes, and Todd Wipke at UCSC are underway.

Globus, Al↗
NASA NTRS1985

Optical radiation from the interaction of energetic atoms, ions, electrons, and photons with surfaces

Heavy particle, electron, and UV photon bombardment of solid surfaces has been recently observed to result in the emission of infrared, visible, and ultraviolet radiation. This effect occurs over a wide range of incident projectile energies. Line radiation arising from transitions between discrete atomic or molecular levels may be attributed to the decay of excited particles which have been sputtered or electronically/chemically desorbed from the surface. Broadband continuum radiation, which is also observed, is believed to arise either from fluorescence of the near surface bulk or from the radiative decay of desorbed excited clusters. Spacecraft, in the ambient near Earth environment, are subject to such bombardment. The dynamics of energetic particle and photon beam interactions with surfaces which lead to surface erosion and glow phenomena will be treated. In addition, projected experimental and theoretical studies of oxygen and nitrogen beam surface interactions on materials characteristic of spacecraft surfaces will be discussed.

Tolk, N. H.↗
NASA NTRS2003

Studies of Atomic Free Radicals Stored in a Cryogenic Environment

Impurity-Helium Solids are porous gel-like solids consisting of impurity atoms and molecules surrounded by thin layers of solid helium. They provide an ideal medium for matrix isolation of free radicals to prevent recombination and store chemical energy. In this work electron spin resonance, nuclear magnetic resonance, X-ray diffraction, and ultrasound techniques have all been employed to study the properties of these substances. Detailed studies via electron spin resonance of exchange tunneling chemical reactions involving hydrogen and deuterium molecular and atomic impurities in these solids have been performed and compared with theory. Concentrations of hydrogen approaching the quantum solid criterion have been produced. Structured studies involving X ray diffraction, ultrasound, and electron spin resonance have shown that the impurities in impurity helium solids are predominantly contained in impurity clusters, with each cluster being surrounded by thin layers of solid helium.

Lee, David M.↗
NASA NTRS1984

Detection of shocked atomic gas in the Kleinmann-Low nebula

The 63 micrometer (3)p(1)-(3)P(2) fine structure line emission of neutral atomic oxygen at the center of the Orion nebula with a resolution of 30" is presented. There are three main emission peaks. One is associated with the region of strongest thermal radio continuum radiation close to the Trapezium cluster, and probably arises at the interface between the HII region and the dense Orion molecular cloud. The other two line emission peaks, associated with the Kleinmann Low nebula, are similar in both distribution and velocity to those of the 2 micrometer S(1) line of molecular hydrogen and of the high velocity wings of rotational CO emission. The OI emission from the KL nebula can be produced in the shocked gas associated with the mass outflows in this region and is an important coolant of the shocked gas.

Werner, M.↗
NASA NTRS1984

Detection of shocked atomic gas in the Kleinmann-Low nebula

The 63 micrometer (3)P(1)-(3)P(2) fine structure line emission of neutral atomic oxygen at the center of the Orion nebula with a resolution of 30'' is presented. There are three main emission peaks. One is associated with the region of strongest thermal radio continuum radiation close to the Trapezium cluster, and probably arises at the interface between the H II region and the dense Orion molecular cloud. The other two line emission peaks, associated with the Kleinmann-Low nebula, are similar in both distribution and velocity to those of the 2 micrometer S(1) line of molecular hydrogen and of the high velocity wings of rotational CO emission. The OI emission from the KL nebula can be produced in the shocked gas associated with the mass outflows in this region and is an important coolant of the shocked gas.

Werner, M. W.↗