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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Molecular Dynamics Simulations of the Thermal Conductivity of Single-Wall Carbon Nanotubes

Carbon nanotubes (CNT) have very attractive electronic, mechanical. and thermal properties. Recently, measurements of thermal conductivity in single wall CNT mats showed estimated thermal conductivity magnitudes ranging from 17.5 to 58 W/cm-K at room temperature. which are better than bulk graphite. The cylinderical symmetry of CNT leads to large thermal conductivity along the tube axis, additionally, unlike graphite. CNTs can be made into ropes that can be used as heat conducting pipes for nanoscale applications. The thermal conductivity of several single wall carbon nanotubes has been calculated over temperature range from l00 K to 600 K using non-equilibrium molecular dynamics using Tersoff-Brenner potential for C-C interactions. Thermal conductivity of single wall CNTs shows a peaking behavior as a function of temperature. Dependence of the peak position on the chirality and radius of the tube will be discussed and explained in this presentation.

Osman, M.↗
NASA NTRS1975

Molecular spectroscopy and collisional excitation

The paper examines the basic principles underlying the molecular transitions responsible for interstellar molecular spectra. The energy levels of molecules are discussed in detail with special attention given to the Born-Oppenheimer approximation, the electronic Hamiltonian, and the parameters of vibrational and rotational energy. The probabilities for radiative and collisional transitions are calculated. A brief review of techniques for molecular spectroscopy is presented along with methods used to determine collision cross sections on both an experimental and a theoretical basis.

Green, S.↗
NASA NTRS1996

Atomic and Molecular Data for Interstellar Studies: A Status Report

Most interstellar species have a large fraction of their electronic transitions at far ultraviolet wavelengths. Observations at these wavelengths reveal spectra rich in absorption lines seen against the continuum of a background source, such as a hot star in our Galaxy, a supernova in a nearby galaxy, or even a bright nucleus in an active galaxy. Most of the observations continue to be made with space-borne instruments, but recent work includes measurements of extragalactic material at large redshifts obtained at high resolution with large ground-based telescopes (e.g., the Keck Telescope). The combination of precise experimental oscillator strengths, large-scale computations, and astronomical spectra with high signal-to-noise ratios are yielding a set of self-consistent-values that span a range in strength in excess of 100 for more and more species. The large range is important for studies involving the different environments probed by the various background sources. This review highlights recent work on the atomic species. Si II, S I, and Fe II, and on the molecules, CO and C2.

Federman, Steven R.↗
NASA NTRS1967

Collision spectroscopy. I.

Scaling law derived from small angle scattering theory, interpreting data in spectroscopic manner to deduce potentials and interactions between electronic states

ELECTRON STATE↗
NASA NTRS1982

Heterogeneous atmospheric chemistry

The present conference on heterogeneous atmospheric chemistry considers such topics concerning clusters, particles and microparticles as common problems in nucleation and growth, chemical kinetics, and catalysis, chemical reactions with aerosols, electron beam studies of natural and anthropogenic microparticles, and structural studies employing molecular beam techniques, as well as such gas-solid interaction topics as photoassisted reactions, catalyzed photolysis, and heterogeneous catalysis. Also discussed are sulfur dioxide absorption, oxidation, and oxidation inhibition in falling drops, sulfur dioxide/water equilibria, the evidence for heterogeneous catalysis in the atmosphere, the importance of heterogeneous processes to tropospheric chemistry, soot-catalyzed atmospheric reactions, and the concentrations and mechanisms of formation of sulfate in the atmospheric boundary layer.

Schryer, D. R.↗
NASA NTRS1987

Spectroscopic comparison of effects of electron radiation on mechanical properties of two polyimides

The differences in the radiation durabilities of two polyimide materials, Du Pont Kapton and General Electric Ultem, are compared. An explanation of the basic mechanisms which occur during exposure to electron radiation from analyses of infrared (IR) and electron paramagnetic resonance (EPR) spectroscopic data for each material is provided. The molecular model for Kapton was, in part, established from earlier modeling for Ultem (pp. 1293-1298 of IEEE Transactions on Nuclear Science, December 1984). Techniques for understanding the durability of one complex polymer based on the understanding of a different and equally complex polymer are demonstrated. The spectroscopic data showed that the primary radiation-generated change in the tensile properties of Ultem (a large reduction in tensile elongation) was due to crosslinking, which followed the capture by phenyl radicals of hydrogen atoms removed from gem-dimethyl groups. In contrast, the tensile properties of Kapton remained unchanged because radical-radical recombination, a self-mending process, took place.

Long, Edward R., Jr.↗
NASA NTRS1996

The 825-1110 angstroms EUV spectrum of Venus

On 15 August 1994 we launched the EUVS sounding rocket payload to observe the 825-1110 angstrom region of Venus's far ultraviolet airglow spectrum. The EUVS telescope/spectrograph obtained good data at five times higher spectral resolution than was previously available in the far ultraviolet. We present these data and compare our results to those obtained by the Galileo UVS and Venera 11/12 UV spectrophotometers. We identify several new spectral emission features, including both singly ionized nitrogen and molecular nitrogen in Venus's spectrum. We also see evidence for electron-impact-induced emission from CO. Finally, the EUVS data indicate that the "Ar" emissions detected in Venus's far ultraviolet spectrum by Venera 11/12 spectrophotometers are in fact not due to argon, thus eliminating the discrepancy between in situ and remote sensing measurements.

Flight Experiment↗
NASA NTRS2006

A Brief Summary of Some of the Laboratory Astrophysics Workshop

Our present knowledge of the molecular universe has come primarily from radio observations [ I include here millimeter and submillimeter in this rubric]. There are a number of reasons for this but the primary one is the extremely high spectral resolution. The ease of observing emission from the volume of dense molecular clouds without significant attenuation by scattering from dust has shown this to be the powerful observational tool for molecular astronomy. Finally the relative simplicity of rotational compared to vibrational or electronic spectroscopy allows carrier identification as well as facile evaluation of cloud conditions such as density and temperature. These virtues become tenuous as the astronomical observations are pushed to higher frequencies for enhanced observational sensitivity. Thus precision rest frequencies are mandatory for the search for new species. We may inquire about which new species require particular attention, and which species may be relatively safely predicted on the basis of lower frequency laboratory measurements. For a rigid rotor the three rotational constants are sufficient to completely specify the transition frequencies. The intensities require the three components of the electric dipole moment. For semirigid species, where the centrifugal distortion, may be treated at the quartic level of angular momentum (Bunker et al. 1998), up to five additional constants are required (Watson 1967). There are a number of such species of considerable interest, where laboratory measurements are adequate for astronomical searches.

Klemperer, William↗
NASA NTRS2015

Scaffold of Asymmetric Organic Compounds - Magnetite Plaquettes

Life on Earth shows preference towards the set of organics with particular spatial configurations, this 'selectivity' is a crucial criterion for life. With only rare exceptions, life prefers the left- (L-) form over the right- (D-) form of amino acids, resulting in an L-enantiomeric excess (L-ee). Recent studies have shown Lee for alpha-methyl amino acids in some chondrites. Since these amino acids have limited terrestrial occurrence, the origin of their stereoselectivity is nonbiological, and it seems appropriate to conclude that chiral asymmetry, the molecular characteristic that is common to all terrestrial life form, has an abiotic origin. A possible abiotic mechanism that can produce chiral asymmetry in meteoritic amino acids is their formation with the presence of asymmetric catalysts, as mineral crystallization can produce spatially asymmetric structures. Magnetite is shown to be an effective catalyst for the formation of amino acids that are commonly found in chondrites. Magnetite 'plaquettes' (or 'platelets'), first described by Jedwab, show an interesting morphology of barrel-shaped stacks of magnetite disks with an apparent dislocation-induced spiral growth that seem to be connected at the center. A recent study by Singh et al. has shown that magnetites can self-assemble into helical superstructures. Such molecular asymmetry could be inherited by adsorbed organic molecules. In order to understand the distribution of 'spiral' magnetites in different meteorite classes, as well as to investigate their apparent spiral configurations and possible correlation to molecular asymmetry, we observed polished sections of carbonaceous chondrites (CC) using scanning electron microscope (SEM) imaging. The sections were also studied by electron backscattered diffraction (EBSD) in order to reconstruct the crystal orientation along the stack of magnetite disks.

Chan, Q. H. S.↗
NASA NTRS1982

Molecular-orbital model for metal-sapphire interfacial strength

Self-consistent-field X-Alpha scattered-wave cluster molecular-orbital models have been constructed for transition and noble metals (Fe, Ni, Cu, and Ag) in contact with a sapphire (Al2O3) surface. It is found that a chemical bond is established between the metal d-orbital electrons and the nonbonding 2p-orbital electrons of the oxygen anions on the Al2O3 surface. An increasing number of occupied metal-sapphire antibonding molecular orbitals explains qualitatively the observed decrease of contact shear strength through the series Fe, Ni, Cu, and Ag.

Johnson, K. H.↗
NASA NTRS2004

The Gas Chromatograph Mass Spectrometer for the Huygens Probe

Titan is unique in the solar system, the only moon that has a dense atmosphere. The major constituents of the atmosphere, nitrogen and methane, are continuously broken apart by a combination of solar UV, impinging electrons from Saturn s magnetosphere, and a steady flux of cosmic rays. The resulting molecular fragments recombine and form a variety of new species, many of which were detected for the first time by Voyager1 . The ubiquitous, surface- hiding aerosol blanket manifests the existence of still more complex compounds. In addition to hydrocarbons and nitriles, the atmosphere is known to contain CO, CO2 and externally delivered H2O. The Gas Chromatograph Mass Spectrometer (GCMS) on the Huygens Probe will measure the chemical composition of the atmosphere of Titan from 170 Km altitude (approximately 1hPa) to the surface (approximately 1500hPa) and determine the isotope ratios of the major constituents. The GCMS will also analyze gas samples from the Aerosol Collector Pyrolyser (ACP) and may be able to obtain compositional information of several surface materials. The GCMS consists of a quadrupole mass spectrometer (QP) with a secondary electron multiplier ion detector, a three-column gas chromatograph (GC) and an elaborate gas sampling system. The gas sampling system will provide atmospheric samples to the QP for nearly continuous analysis during the Probe descent and batch samples at several altitudes for GC analysis. It also contains a chemical scrubber for noble gas analysis and an enrichment cell for trace constituent enhancement. In addition to the sampling of the atmosphere periodic gas samples, derived from the pyrolysis of aerosols, will be transferred from the ACP to the GCMS for direct QP and full GCMS analysis. The QP can analyze molecular masses from 2 to 141Dalton. The nominal detection threshold is at a mixing ratio of 10E-8. Data rate is 885 bits/sec. The mass of the instrument is 17.3 kg and the energy required for operation during the descent is 110 Watt-hours.

Niemann, H. B.↗
NASA NTRS2004

The Gas Chromatograph Mass Spectrometer for the Huygens Probe

Titan is unique in the solar system, the only moon that has a dense atmosphere. The major constituents of the atmosphere, nitrogen and methane, are continuously broken apart by a combination of solar UV, impinging electrons from Saturn's magnetosphere, and a steady flow of cosmic rays. The resulting molecular fragments recombine and form a variety of new species, many of which were detected for the first time by Voyager 1. The ubiquitous, surface-hiding aerosol blanket manifests the existence of still more complex compounds. In addition to hydrocarbons and nitriles, the atmosphere is known to contain CO, CO2 and externally delivered H2O. The Gas Chromatograph Mass Spectrometer (GCMS) on the Huygens Probe will measure the chemical composition of the atmosphere of Titan from 170 km altitude (approximately lhPa) to the surface (approximately 1500hPa) and determine the isotope ratios of the major constituents. The GCMS will also analyze gas samples from the Aerosol Collector Pyrolyser (ACP) and may be able to obtain compositional information of several surface materials. The GCMS consists of a quadrupole mass spectrometer (QP) with a secondary electron multiplier ion detector, a three-column gas chromatograph (GC) and an elaborate gas sampling system. The gas sampling system will provide atmospheric samples to the QP for nearly continuous analysis during the Probe descent and batch samples at several altitudes for GC analysis. It also contains a chemical scrubber for noble gas analysis and an enrichment cell for trace constituent enhancement. In addition to the sampling of the atmosphere periodic gas samples, derived from the pyrolysis of aerosols, will be transferred from the ACP to the GCMS for direct QP and full GCMS analysis. The QP can analyze molecular masses from 2 to 14lDalton. The nominal detection threshold is at a mixing ratio of 10E-8. Data rate is 885 bits/sec. The mass of the instrument is 17.3 kg and the energy required for operation during the descent is 110 Watt-hours.

Niemann, H. B.↗