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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 235 records · Page 13
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NASA NTRS2002

Charge Transfer Calculations and Database for Astrophysics

A variety of theoretical approaches, having different but overlapping energy ranges of applicability, are applied to investigate charge transfer processes for collisions of atomic ions with atoms and molecules. The methods include quantal molecular-orbital close-coupling, classical trajectory Monte Carlo, and continuum distorted wave methods. Recent collision systems studied include S(+4) + H, S(+4) + He, N(+7) + He, H2O, CO, and CO2, O(+q)(q = 1 - 8) + H, H2, and S(+q)(q = 1 - 16) + H2. The database effort is concentrating on astrophysically important reactions of atomic ions X(+q)(X=H-Zn, q=1-4, and selected higher charges) with H, He, various metal atoms, H2, and other selected molecular targets. Existing data, much of it produced by us, has been compiled and critically evaluated. Data for many reactions missing in the literature are estimated using the multichannel Landau-Zener approximation. Fits to cross sections and rate coefficients using standard functions are provided as well as tabulations of the raw data. The database is available on the World Wide Web at cfadc.phy.ornl.gov/astro/ps/data.

Wang, J. G.↗
NASA NTRS1986

Study of the ammonia ice cloud layer in the north tropical zone of Jupiter from the infrared interferometric experiment on Voyager

An average of 51 Voyager 1 IRIS spectra of Jupiter's North Tropical Zone was analyzed to infer the abundance, vertical extent, and size distribution of the particles making up the ammonia cloud in this region. It is assumed that the cloud base coincides with the level at which 100% saturation of ammonia vapor occurs. The vertical distribution of particulates above this level is determined by assuming a constant total ammonia mixing ratio and adjusting the two phases so that the vapor is saturated throughout the cloud. A constant scaling factor then adjusts the base number density. A radiative transfer program is used that includes the effects of absorption and emission of all relevant gases as well as anisotropic scattering by cloud particles. Mie scattering from a gaussian particle size distribution is assumed. The vertical thermal structure is inferred from a temperature retrieval program that utilizes the collision induced S(0) and S(1) molecular hydrogen lines between 300 and 700.cm, and the 1304.cm methane band.

Shaffer, William A.↗
NASA NTRS1991

Collisional excitation of formaldehyde in 'hot' interstellar molecular regions

Earlier calculations for rotational excitation of formaldehyde by collisions with He atoms are extended to include the lowest 81 rotational levels and kinetic temperatures to 300 K. Calculations are generally based on Green et al. (1978) but coupled differential equations are solved via a modified log-derivative propagator at low energies (Manolopoulos, 1986) and an R-matrix propagator at higher energies (Stechel, Walker, and Light, 1978). Consideration is given to the expected accuracy of the rates for excitation of formaldehyde by collisions with He atoms which are calculated in the present paper and to the expected differences between these rates and those for excitation by H2 molecules which comprise a larger fraction of the interstellar gas. The comparisons performed indicate that, for excitation by He, calculated state-to-state rates are likely to be 50 percent accurate, and total excitation rates, better than 20 percent. For excitation by H2, the rates should be increased by a factor of 2.2.

Green, Sheldon↗
NASA NTRS1994

Theoretical studies of spectroscopic problems of importance for atmospheric radiation measurements

Many of the instruments used to deduce the physical parameters of the Earth's atmosphere necessary for climate studies or for pollution monitoring (for instance, temperature versus pressure or number densities of trace molecules) rely on the existence of accurate spectroscopic data and an understanding of the physical processes responsible for the absorption or emission of radiation. During the summer, research was either continued or begun on three distinct problems: (1) an improved theoretical framework for the calculation of the far-wing absorption of allowed spectral lines; (2) a refinement of the calculation of the collision-induced fundamental spectrum of N2; and (3) an investigation of possible line-mixing effects in the fundamental spectrum of CH4. Progress in these three areas is summarized below. During the past few years, we have developed a theoretical framework for the calculation of the absorption of radiation by the far wings of spectral lines. Such absorption due to water vapor plays a crucial role in the greenhouse effect as well as limiting the retrieval of temperature profiles from satellite data. Several improvements in the theory have been made and the results are being prepared for publication. Last year we published results for the theoretical calculation of the absorption of radiation due to the dipoles induced during binary collisions of N2 molecules using independently measured molecular parameters; the results were in reasonable agreement with experimental data. However, recent measurements have revealed new fine structure that has been attributed to line-mixing effects. We do not think that this is correct, rather that the structure results from short-range anisotropic dipoles. We are in the process of including this refinement in our theoretical calculation in order to compare with the new experimental data. Subtle changes in the spectra of CH4 measured by researchers at Langley have also been attributed to line-mixing effects. By analyzing the same spectral lines we have attempted to verify or rule out possible line-mixing mechanisms. Due to the complexity and richness of the spectrum of this highly symmetric molecule, as well as the small magnitude of the effects, a detailed first-principle calculation of the mixing is a difficult problem. Before such a program is undertaken it is important to glean as much information as possible concerning the possible mechanisms by a systematic analysis of the existing data.

Tipping, Richard H.↗
NASA NTRS1995

Space physics educational outreach

The goal of this Space Physics Educational Outreach project was to develop a laboratory experiment and classroom lecture on Earth's aurora for use in lower division college physics courses, with the particular aim of implementing the experiment and lecture at Saint Mary's College of California. The strategy is to teach physics in the context of an interesting natural phenomenon by investigating the physical principles that are important in Earth's aurora, including motion of charged particles in electric and magnetic fields, particle collisions and chemical reactions, and atomic and molecular spectroscopy. As a by-product, the undergraduate students would develop an appreciation for naturally occurring space physics phenomena.

Copeland, Richard A.↗
NASA NTRS2004

Studies of Pressure-Broadening of Alkali Atom Resonance Lines for Modeling Atmospheres of Extrasolar Giant Planets and Brown Dwarfs

In L-dwarfs and T-dwarfs the resonance lines of sodium and potassium are so profoundly pressure-broadened that their wings extend several hundred nanometers from line center. With accurate knowledge of the line profiles as a function of temperature and pressure: such lines can prove to be valuable diagnostics of the atmospheres of such objects. We have initiated a joint program of theoretical and experimental research to study the line-broadening of alkali atom resonance lines due to collisions with species such as helium and molecular hydrogen. Although potassium and sodium are the alkali species of most interest in the atmospheres of cool brown dwarfs and extrasolar giant planets, some of our theoretical focus this year has involved the calculation of pressure-broadening of lithium resonance lines by He, as a test of a newly developed suite of computer codes. In addition, theoretical calculations have been carried out to determine the leading long range van der Waals coefficients for the interactions of ground and excited alkali metal atoms with helium atoms, to within a probable error of 2%. Such data is important in determining the behavior of the resonance line profiles in the far wings. Important progress has been made on the experimental aspects of the program since the arrival of a postdoctoral fellow in September. A new absorption cell has been designed, which incorporates a number of technical improvements over the previous cell, including a larger cell diameter to enhance the signal, and fittings which allow for easier cleaning, thereby significantly reducing the instrument down-time.

Kirby, Kate↗
NASA NTRS1981

Far-infrared and submillimeter observations of Barnard 35 - Heat sources for bright-rimmed molecular clouds

Far-infrared and submillimeter continuum observations of a region of enhanced gas temperature in Barnard 35 are presented which were obtained in a study of dust and gas energetics in the bright-rimmed molecular cloud. Observations were obtained with the 90-cm telescope on board the NASA Kuiper Airborne Observatory, together with ground-based observations of the CO lines. The spectrum is found to correspond to a dust temperature of 10 + or - 5 K. A total dust luminosity of about 69 solar luminosities is estimated for the cloud, which may easily be supplied by stellar radiation from the background field or the Lambda Ori cluster. Observations of CO emission at 2.7 mm indicate a gas temperature of 23.4 + or - 3.5 K. The difference between the gas and dust temperatures confirms earlier suggestions that the gas and dust are not in thermal equilibrium and that gas-dust collisions are not the heat source for the molecular gas, however the actual source of the molecular gas heating remains uncertain.

Lada, C. J.↗
NASA NTRS1976

Wind enhanced planetary escape: Collisional modifications

The problem of thermal escape is considered in which both the effects of thermospheric winds at the exobase and collisions below the exobase are included in a Monte Carlo calculation. The collisions are included by means of a collisional relaxation layer of a background gas which models the transition region between the exosphere and the thermosphere. The wind effects are considered in the limiting cases of vertical and horizontal flows. Two species are considered: terrestrial hydrogen and terrestrial helium. In the cases of terrestrial hydrogen the escape fluxes were found to be strongly filtered or throttled by collisions at high exospheric temperatures. The model is applied to molecular hydrogen diffusing through a methane relaxation layer under conditions possible on Titan. The results are similar to the case of terrestrial hydrogen with wind enhanced escape being strongly suppressed by collisions. It is concluded that wind enhanced escape is not an important process on Titan.

Curtis, S. A.↗
NASA NTRS1988

On the origin of the Orion and Monoceros molecular cloud complexes

A detailed model for the origin of the Orion and Monoceros cloud complexes is presented, showing that a single high-velocity H I cloud-galaxy collision can explain their main observed features. The collision generates massive shocked layers, and self-gravity can then provide the conditions for the transformation of these layers into molecular clouds. The clouds formed by the collision maintain the motion of their parental shocked gas and reach positions located far away from the plane. According to this model, both the Orion and Monoceros complexes were formed some 60 million yr ago, when the original shocked layer was fragmented by Galactic tidal forces.

Franco, J.↗
NASA NTRS1984

Molecular processes in a high temperature shock layer

Models of the shock layer encountered by an Aeroassisted Orbital Transfer Vehicle require as input accurate cross sections and rate constants for the atomic and molecular processes that characterize the shock radiation. From the estimated atomic and molecular densities in the shock layer and the expected residence time of 1 m/s, it can be expected that electron-ion collision processes will be important in the shock model. Electron capture by molecular ions followed by dissociation, e.g., O2(+) + e(-) yields 0 + 0, can be expected to be of major importance since these processes are known to have high rates (e.g., 10 to the -7th power cu/cm/sec) at room temperature. However, there have been no experimental measurements of dissociative recombination (DR) at temperatures ( 12000K) that are expected to characterize the shock layer. Indeed, even at room temperature, it is often difficult to perform experiments that determine the dependence of the translational energy and quantum yields of the product atoms on the electronic and vibrational state of the reactant molecular ions. Presented are ab initio quantum chemical studies of DR for molecular ions that are likely to be important in the atmospheric shock layer.

Guberman, S. L.↗
NASA NTRS1992

FDDO and DSMC analyses of rarefied gas flow through 2D nozzles

Two different approaches, the finite-difference method coupled with the discrete-ordinate method (FDDO), and the direct-simulation Monte Carlo (DSMC) method, are used in the analysis of the flow of a rarefied gas expanding through a two-dimensional nozzle and into a surrounding low-density environment. In the FDDO analysis, by employing the discrete-ordinate method, the Boltzmann equation simplified by a model collision integral is transformed to a set of partial differential equations which are continuous in physical space but are point functions in molecular velocity space. The set of partial differential equations are solved by means of a finite-difference approximation. In the DSMC analysis, the variable hard sphere model is used as a molecular model and the no time counter method is employed as a collision sampling technique. The results of both the FDDO and the DSMC methods show good agreement. The FDDO method requires less computational effort than the DSMC method by factors of 10 to 40 in CPU time, depending on the degree of rarefaction.

Chung, Chan-Hong↗
NASA NTRS1972

Nonequilibrium shock wave structure, 1. Kinetics of nitric oxide formation and decomposition, 2

Theoretical and numerical aspects of molecular flow simulation focussed on the development of collision models for diatomic and triatomic gases undergoing rotational excitation and energy exchange. A laser absorption technique is proposed and analyzed as sufficiently sensitive for measuring rotational populations in a nonequilibrium shock wave. Also reported is a survey of available literature on NO chemical rate data in preparation for experiments on NO decompensation kinetics in atmospheric pollution.

Kruger, C. H.↗
NASA NTRS1989

Tidal disruption of open clusters in their parent molecular clouds

A simple model of tidal encounters has been applied to the problem of an open cluster in a clumpy molecular cloud. The parameters of the clumps are taken from the Blitz, Stark, and Long (1988) catalog of clumps in the Rosette molecular cloud. Encounters are modeled as impulsive, rectilinear collisions between Plummer spheres, but the tidal approximation is not invoked. Mass and binding energy changes during an encounter are computed by considering the velocity impulses given to individual stars in a random realization of a Plummer sphere. Mean rates of mass and binding energy loss are then computed by integrating over many encounters. Self-similar evolutionary calculations using these rates indicate that the disruption process is most sensitive to the cluster radius and relatively insensitive to cluster mass. The calculations indicate that clusters which are born in a cloud similar to the Rosette with a cluster radius greater than about 2.5 pc will not survive long enough to leave the cloud. The majority of clusters, however, have smaller radii and will survive the passage through their parent cloud.

Long, Kevin↗
NASA NTRS1984

Infrared spectroscopy of interstellar shocks

Infrared emission lines from interstellar shocks provide valuable diagnostics for violent events in the interstellar medium, such as supernova remnants and mass outflow from young stellar objects. There are two types of interstellar shocks: in J shocks, gas properties 'jump' from their preshock to their postshock values in a shock front with a thickness equal to or less than one mean free path; radiation is emitted behind the shock front, primarily in the visible and ultraviolet, but with a few strong infrared lines, such as OI(63 microns). Such shocks occur in ionized or neutral atomic gas, or at high velocities (equal to or greater than 50 km/s) in molecular gas. In C shocks, gas is accelerated and heated by collisions between charged particles, which have a low concentration and are coupled to the magnetic field, and neutral particles; radiation is generated throughout the shock and is emitted almost entirely in infrared emission lines. Such shocks occur in weakly ionized molecular gas for shock velocities below about 50 km/s.

Mckee, C. F.↗