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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Thermophysical aspects of re-entry flows

The present conference discusses low density aerothermodynamics, the drag of bodies in rarefied hypersonic flow, transitional hypervelocity aerodynamic simulation and scaling, high temperature kinetics and transport properties, electron-nitrogen molecule collisions in high temperature nonequilibrium air, theoretical studies of dissociative recombination, the transport properties of some atom/ion interactions in air, and the interaction energies, dipole transition moments, and transport cross sections of N(+)-N and O(+)-O. Also discussed are the results of studies of potential fluid mechanisms for enhanced stagnation heating, vortex-induced leeward heating on a biconic at Mach 6 and 10, the effects of surface discontinuities on convective heat transfer in hypersonic flow, computational convergence in chemical reacting flows, and three-dimensional viscous shock layer applications for the Space Shuttle Orbiter.

Moss, J. N.↗
NASA NTRS1990

Ab initio R-matrix calculations of e+-molecule scattering

The adaptation of the molecular R-matrix method, originally developed for electron-molecule collision studies, to positron scattering is discussed. Ab initio R-matrix calculations are presented for collisions of low energy positrons with a number of diatomic systems including H2, HF and N2. Differential elastic cross sections for positron-H2 show a minimum at about 45 deg for collision energies between 0.3 and 0.5 Ryd. The calculations predict a bound state of positronHF. Calculations on inelastic processes in N2 and O2 are also discussed.

Danby, Grahame↗
NASA NTRS1990

The G value in plasma and radiation chemistry

The application of the G-value concept to plasma chemistry is considered. A general formula which expresses the G value for a general reaction in terms of experimentally controllable parameters is derived by applying simple gas-dynamic theory to a plasma reactor with straight walls. The formula expresses the G value as a function of the electrical power absorbed, the fraction of molecules transformed, and the flow rate of the gas entering the reactor. The formula was applied to the ammonia plasma radio-frequency discharge data of d'Agostino et al. (1981); the results showed that the G(-NH3) value lies in the range of 6.0-20 molecules/100 eV, depending on the conditions. This similarity of the G(-NH3) value with Peterson's (1974) range 2.7-10 found for the gas-phase radiolysis of ammonia, suggests that there might be a common reaction mechanism initiated by inelastic electron-molecule collisions.

Baird, James K.↗
NASA NTRS1998

A Computational Chemistry Database for Semiconductor Processing

The concept of 'virtual reactor' or 'virtual prototyping' has received much attention recently in the semiconductor industry. Commercial codes to simulate thermal CVD and plasma processes have become available to aid in equipment and process design efforts, The virtual prototyping effort would go nowhere if codes do not come with a reliable database of chemical and physical properties of gases involved in semiconductor processing. Commercial code vendors have no capabilities to generate such a database, rather leave the task to the user of finding whatever is needed. While individual investigations of interesting chemical systems continue at Universities, there has not been any large scale effort to create a database. In this presentation, we outline our efforts in this area. Our effort focuses on the following five areas: 1. Thermal CVD reaction mechanism and rate constants. 2. Thermochemical properties. 3. Transport properties.4. Electron-molecule collision cross sections. and 5. Gas-surface interactions.

Jaffe, R.↗
NASA NTRS1991

Studies of electron collisions with polyatomic molecules using distributed-memory parallel computers

Elastic electron scattering cross sections from 5-30 eV are reported for the molecules C2H4, C2H6, C3H8, Si2H6, and GeH4, obtained using an implementation of the Schwinger multichannel method for distributed-memory parallel computer architectures. These results, obtained within the static-exchange approximation, are in generally good agreement with the available experimental data. These calculations demonstrate the potential of highly parallel computation in the study of collisions between low-energy electrons and polyatomic gases. The computational methodology discussed is also directly applicable to the calculation of elastic cross sections at higher levels of approximation (target polarization) and of electronic excitation cross sections.

Winstead, C.↗
NASA NTRS1974

Semiclassical S-matrix theory of vibrationally inelastic collisions between two diatomic molecules

We derive a semiclassical S matrix for vibrationally inelastic collisions between two diatomic molecules, assuming a collinear geometry. Our theory incorporates a quantum mechanical superposition principle with classical dynamics and, as such, is an extension of the atom-diatomic molecule theory of Miller. The several approximations to the S matrix differ in the complexity with which the interference between various classical trajectories is treated. We report numerical calculations for H2-D2 and D2-D2 collisions based on two different interaction potentials. The cruder approximations yield transition probabilities which agree with exact quantum mechanical results to within a factor of 2. More sophisticated approximations to the S matrix yield excellent quantitative agreement with the quantum calculations.

Cohen, S. C.↗
NASA NTRS2008

Making More-Complex Molecules Using Superthermal Atom/Molecule Collisions

A method of making more-complex molecules from simpler ones has emerged as a by-product of an experimental study in outer-space atom/surface collision physics. The subject of the study was the formation of CO2 molecules as a result of impingement of O atoms at controlled kinetic energies upon cold surfaces onto which CO molecules had been adsorbed. In this study, the O/CO system served as a laboratory model, not only for the formation of CO2 but also for the formation of other compounds through impingement of rapidly moving atoms upon molecules adsorbed on such cold interstellar surfaces as those of dust grains or comets. By contributing to the formation of increasingly complex molecules, including organic ones, this study and related other studies may eventually contribute to understanding of the origins of life.

Shortt, Brian↗
NASA NTRS1973

Stripping in collisions between hydrogen molecules below 500 eV.

Measurement of the cross section of stripping the mass 2 and 4 isotopes from molecular hydrogen in their parent gases at kinetic energies between 50 and 500 eV. The angular dependence of the ions is found to be highly peaked in the forward direction, at energies above 100 eV. Plotted vs incident velocity, the cross sections for H2 and D2 approached the same value at the highest velocities and did diverge toward lower velocities. The behavior of the cross sections is found to be consistent with a theoretical model suggested by Demkov and Komarov (1968).

Peterson, R. K.↗
NASA NTRS1980

Collisional excitation of interstellar molecules - Water

Rate constants for excitation of water molecules by collisions with He atoms have been obtained from extensive theoretical calculations. For ortho-H2O, rates are presented for all spectroscopic levels below 1000/cm and for kinetic temperatures to 500 K; for para-H2O, levels below 300/cm and kinetic temperatures to 250 K are included. It is suggested that rates of excitation by collisions with hydrogen molecules are similar to those for He atoms.

Green, S.↗
NASA NTRS1995

Study of the rotational-level and temperature dependence of the quenching rate of OH fluorescence due to collisions with water molecules

The importance of the OH radical as an intermediate in many combustion reactions and in atmospheric photochemistry has led many researchers to use it as a diagnostic tool in these processes. The amount of data that has been acquired over the years for this radical is quite considerable. However, the quenching rate of OH with water molecules as a function of temperature and the rotational level of the excited state is not very well understood. The motivation of the studies undertaken is to bridge the gap between the low temperature measurements and the high temperature ones reported in the literature. The technique generally employed in these diagnostics is laser-induced fluorescence (LIF), through which rotational state selective excitation of the radical is possible. Furthermore, in a combustion medium, water is produced in abundance so that knowledge of the quenching rate of OH due to water molecules plays a crucial role in interpreting the data. In general, the precursor to an understanding of the collisional quenching rates of OH involves a characterization of the mode in which the radical is produced; the resulting rotational and translational distribution, followed by a measurement of the OH temperature; and ultimately obtaining the rate constants from the pressure dependence of the fluorescence signal. The experimental implementation of these measurements therefore involved, as a first step, the production of the OH radicals in a microwave discharge cell using water vapor as the source, wherein a hydrogen atom is abstracted from H2O. The second step involved the absorption of photons from the frequency-doubled output of a pulsed amplified, single-frequency cw ring dye laser. By tuning the laser to the peak of the transition and observing the fluorescence decay after the laser pulse, the lifetime of the OH in a particular rotational electronic state was determined (tau = 1.4 microseconds for Q(sub 1)(3)). Knowledge of this parameter led to a determination of the quenching rate. By varying the water vapor pressure in the cell and measuring the lifetime as a function of pressure a linear plot of the quenching rate as a function of pressure was obtained. Using this plot, the quenching cross section was deduced. It has therefore been possible to measure the local translational temperature and the quenching cross section with one laser system.

Koker, Edmond B.↗