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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 505 records · Page 28

Free radical propulsion concept

The concept of a free radical propulsion system, utilizing the recombination energy of dissociated low molecular weight gases to produce thrust, is analyzed. The system, operating at a theoretical impulse with hydrogen, as high as 2200 seconds at high thrust to power ratio, is hypothesized to bridge the gap between chemical and electrostatic propulsion capabilities. A comparative methodology is outlined by which characteristics of chemical and electric propulsion for orbit raising mission can be investigated. It is noted that free radicals proposed in rockets previously met with difficulty and complexity in terms of storage requirements; the present study proposes to eliminate the storage requirements by using electric energy to achieve a continuous-flow product of free radicals which are recombined to produce a high velocity propellant. Microwave energy used to dissociate a continuously flowing gas is transferred to the propellant via three-body-recombination for conversion to propellant kinetic energy. Microwave plasma discharge was found in excess of 90 percent over a broad range of pressure in preliminary experiments, and microwave heating compared to electrothermal heating showed much higher temperatures in gasdynamic equations.

Hawkins, C. E.↗

Cloud Algorithm Design and Performance for the 2002 Geoscience Laser Altimeter System Mission

A satellite borne lidar instrument, the Geoscience Laser Altimeter System (GLAS), is to be launched in late 2002 and will provide continuous profiling of atmospheric clouds and aerosol on a global basis. Data processing algorithms have been developed to provide operational data products in near real time. Basic data products for cloud observations are the height of the top and bottom of single to multiple cloud layers and the lidar calibrated observed backscatter cross section up to the level of signal attenuation. In addition the optical depth and vertical profile of visible extinction cross section of many transmissive cloud layers and most haze layers are to be derived. The optical thickness is derivable in some cases from the attenuation of the molecular scattering below cloud base. In other cases an assumption of the scattering phase function is required. In both cases a estimated correction for multiple scattering is required. The data processing algorithms have been tested in part from aircraft measurements used to simulated satellite data. The GLAS lidar observations will be made from an orbit that will allow inter comparison with all other existing satellite cloud measurements.

Spinhirne, J. D.↗

Preliminary Analysis of Images from the Thermospheric Temperature Image on Fast, Affordable, Science and Technology Satellite (FASTSAT)

The Thermospheric Temperature Imager (TTI) on Fast, Affordable, Science and Technology SATellite (FASTSAT) measures the upper atmospheric atomic oxygen emission at 135.6 nm and the molecular nitrogen LBH emission at 135.4 nm to determine the atmospheric O/N2 density ratio. Observations of variations in this thermospheric ratio correspond to electron density variations in the ionosphere. The TTI design makes use of a Fabry-Perot interferometer to measure Doppler widened atmospheric emissions to determine neutral atmospheric temperature from low Earth orbit. FASTSAT launched November 10, 2010 and TTI is currently observing geomagnetic signatures in the aurora and airglow. This work is supported by NASA.

Rodriquez, Marcello↗

Molecular collisions. 11: Semiclassical approximation to atom-symmetric top rotational excitation

In a paper of this series a distorted wave approximation to the T matrix for atom-symmetric top scattering was developed which is correct to first order in the part of the interaction potential responsible for transitions in the component of rotational angular momentum along the symmetry axis of the top. A semiclassical expression for this T matrix is derived by assuming large values of orbital and rotational angular momentum quantum numbers.

Russell, D.↗

Ultraviolet observations of Mars made by the Orbiting Astronomical Observatory.

Ultraviolet albedos of Mars in the region from 2000 to 3600 A are discussed. When the reflectivity due to the known amount of CO2 on Mars is accounted for, the remaining reflectivity may be used to set an upper limit for the surface albedo. The result disagrees qualitatively with published ultraviolet reflectivities of limonite and carbon suboxide. An alternate interpretation of the observations leads to the conclusion that CO2 comprises at least 60% of the molecular atmosphere of Mars, assuming the remainder to be argon. A comparison of the OAO results with 1969 Mariner ultraviolet data reveals some important areas of conflict. Attempts to detect Mars at wavelengths less than 2000 A were unsuccessful, with only very high upper limits being set.

Caldwell, J.↗

Shuttle payload integration - Contamination aspects

As part of the development of the Space Shuttle, a payload integration system has been established. This integration system or process encompasses several technical disciplines, one of which is concerned with the control of molecular and particulate contamination. Specific integration procedures and documentation have evolved that reflect the incorporation of payload/Space Transportation System contamination requirements and capabilities. Of the 38 payloads in the payload integration system currently, about 20% are considered sensitive to contamination in that special precautions must be taken to ensure that contamination from the Space Shuttle Orbiter does not impair payload function. Most of these payload requirements have been satisfied by the incorporation of controlled ground operations discipline and installation of a payload bay liner, which isolates the payload from the Orbiter systems. Some payloads, however, provide covers for sensitive payload instrumentation.

Jacobs, S.↗

Structure-activity correlations for organophosphorus ester anticholinesterases. Part 2: CNDO/2 calculations applied to ester hydrolysis rates

Quantitative structure-activity relationships are presented for the hydrolysis of organophosphorus esters, RR'P(O)X, where R and R' are alkyl and/or alkoxy groups and X is fluorine, chlorine or a phenoxy group. CNDO/2 calculations provide values for molecular parameters that correlate with alkaline hydrolysis rates. For each subset of esters with the same leaving group, X, the CNDO-derived net atomic charge at the central phosphorus atom correlates well with the alkaline hydrolysis rate constants. For the whole set of esters with different leaving groups, equations are derived that relate charge, orbital energy and bond order to the hydrolysis rate constants.

Johnson, H.↗

All-electron molecular Dirac-Hartree-Fock calculations: Properties of the group IV monoxides GeO, SnO and PbO

Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

Dyall, Kenneth G.↗

All-electron molecular Dirac-Hartree-Fock calculations - Properties of the group IV monoxides GeO, SnO, and PbO

Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

Dyall, Kenneth G.↗

Confirmation of the predicted Hartree-Fock limit in BeH sub 2.

We have recently estimated the total energy of the BeH 2 molecule as -15.918 ± 0.015 au. One of the steps in the analysis was to estimate the difference between the SCF energies computed with a minimal basis set of Slater orbits and with the best possible single-determinant wave function, the so-called Hartree-Fock limit and was predicted to be -15.773 ± 0.007 au for BeH 2 .

Molecular energy↗

Investigations to improve carbon dioxide control with amine and molecular sieve type sorbers

The optimization trends and operating parameters of an integral molecular sieve bed heat exchanger were investigated. The optimum combination of substrate and coating for the HS-B porous polymer was determined based on the CO2 dynamic capacity in the presence of water vapor. Full size HS-B canister performance was evaluated. An Amine CO2 Concentrator utilizing IR-45 sorber material and available Manned Orbiting Laboratory hardware was designed, fabricated and tested for use as an experiment in the NASA 90-day space simulator test of 1970. It supported four men in the simulator for 71 days out of the 90-day test duration.

Bertrand, J. F.↗

Spectroradiometric calibration of the Thematic Mapper and Multispectral Scanner system

The effects of the atmosphere on propagating radiation must be known in order to calibrate an in orbit sensor using ground based measurements. A set of model atmosphere parameters, applicable to the White Sands (New Mexico) area is defined with particular attention given to those parameters which are required as input to the Herman Code. The radial size distribution, refractive index, vertical distribution, and visibility of aerosols are discussed as well as the molecular absorbers in the visible and near IR wavelength which produce strong absorption lines. Solar irradiance is also considered.

Palmer, J. M.↗

Spectral identification/elimination of molecular species in spacecraft glow

Computer models of molecular electronic and vibrational emission intensities were developed. Known radiative emission rates (Einstein coefficients) permit the determination of relative excited state densities from spectral intensities. These codes were applied to the published spectra of glow above shuttle surface and to the Spacelab 1 results of Torr and Torr. The theoretical high-resolution spectra were convolved with the appropriate instrumental slit functions to allow accurate comparison with data. The published spacelab spectrum is complex but N2+ Meinel emission can be clearly identified in the ram spectrum. M2 First Positive emission does not correlate well with observed features, nor does the CN Red System. Spectral overlay comparisons are presented. The spectrum of glow above shuttle surfaces, in contrast to the ISO data, is not highly structured. Diatomic molecular emission was matched to the observed spectral shape. Source excitation mechanisms such as (oxygen atom)-(surface species) reaction product chemiluminescence, surface recombination, or resonance fluorescent re-emission will be discussed for each tentative assignment. These assignments are the necessary first analytical step toward mechanism identification. Different glow mechanisms will occur above surfaces under different orbital conditions.

Green, B. D.↗

Analysis of a space-exposed thermoplastic resin

The chemical characterization of a thermoplastic resin exposed to the low Earth orbit (LEO) environment for 10 months and for 5.8 years is reported. The resin, processed as a thick film and as a matrix for a graphite fiber reinforced composite, few exposed in the RAM direction on the NASA Long Duration Exposure Facility (LDEF). Differences attributable to environmental exposure were detected in infrared spectra and in various molecular weight parameters of film after 10 months in LEO. Those effects were not as apparent in composites after 5.8 years in LEO. Increased exposure to atomic oxygen toward the end of the LDEF mission probably scrubbed these effects from specimens exposed for 5.8 years. The intent of this study is to increase our fundamental understanding of space environmental effects on polymeric materials and to develop a benchmark for enhancing our methodology for and understanding of the ground-based simulation of space environmental effects.

Young, Philip R.↗

The early evolution of protostellar disks

We consider the origin and intital growth of the disks that form around protostars during the collapse of rotating molecular cloud cores. These disks are assumed to be inviscid and pressure free, and to have masses small compared to those of their central stars. We find that there exist three distinct components-an outer disk, in which shocked gas moves with comparable azimuthal and radical velocities; and inner disk, where material follows nearly circular orbits, but spirals slowly toward the star because of the drag exerted by adjacent onfalling matter, and a turbulent ring adjoining the first two regions. Early in the evolution, i.e., soon after infalling matter begins to miss the star, only the outer disk is present, and the total mass acceration rate onto the protostar is undiminished. Once the outer disk boundary grows to more than 2.9 times the stellar radius, first the ring, and then the inner disk appear. Thereafter, the radii of all three components expand as t(exp 3). The mass of the ring increase with time and is always 13% of the total mass that has fallen from the cloud. Concurrently with the buildup of the inner disk and ring, the accretion rate onto the star falls off. However, the protostellar mass continue to rise, asymptotically as t(exp 1/4). We calculated the radiated flux from the inner and outer disk components due to the release of gravitational potential energy. The flux from the inner disk is dominant and rises steeply toward the stellar surface. We also determine the surface temperature of the inner disk as a function of radius. The total disk luminosity decreases slowly with time, while the contributions from the ring and inner disk both fall as t(exp -2).

Stahler, Steven W.↗

Linear Scaling Density Functional Calculations with Gaussian Orbitals

Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

Scuseria, Gustavo E.↗

Free-falling Crystals: Biological Macromolecular Crystal Growth Studies in Low Earth Orbit

Spacecraft orbiting the earth experience a reduced acceleration environment due to being in a state of continuous free-fall. This state colloquially termed microgravity, has produced improved X-ray diffraction quality crystals of biological macromolecules. Improvements in X-ray diffraction resolution (detail) or signal to noise, provide greater detail in the three-dimensional molecular structure providing information about the molecule, how it works, how to improve its function or how to impede it. Greater molecular detail obtained by crystallization in microgravity, has important implications for structural biology. In this article we examine the theories behind macromolecule crystal quality improvement in microgravity using results obtained from studies with the model protein, chicken egg white lysozyme.

Judge, Russell A.↗

Implications of the observations of partially ionised states in the low energy galactic cosmic rays

Of the low energy (30-100 MeV/N)Fe-group nuclei of Galactic cosmic rays (GCRs) a fraction of about 20 percent of these are in partially ionized states. The origin of these particles are not known at present. From the considerations of relevant cross-sections, the following two important processes of the phenomena are given: (1) these GCR Fe-group nuclei must have captured the orbital electrons at energies of 1-5 MeV/N, while traversing matter; and (2) that these GCR ions of 1-5 MeV/N are then reaccelerated to energies of at least 30-100 MeV/N, most probably in the heliospheric boundary region. Three possible scenarios of the electron-capture processes are briefly discussed: (1) electron capture in a large molecular cloud; (2) GCR equilibrium spectra in ISM and their equilibrium charge; and (3) electron capture in the Oort's cloud.

Mitra, Banashree↗