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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 109 records · Page 6
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NASA NTRS1973

Molecular collisions 21: Semiclassical approximation to atom-symmetric top rotational excitation

A distorted wave approximation to the T matrix for atom-symmetric top scattering was developed. The approximation 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.↗
NASA NTRS1974

Collisionless relaxation in spiral galaxy models

The increase in random kinetic energy of stars by rapidly fluctuating gravitational fields (collisionless or violent relaxation) in disk galaxy models is investigated for three interaction potentials of the stars corresponding to (1) point stars, (2) rod stars of length 2 kpc, and (3) uniform density spherical stars of radius 2 kpc. To stabilize the galaxy against the large scale bar forming instability, a fixed field corresponding to a central core or halo component of stars was added with the stars containing at most 20 percent of the total mass of the galaxy. Considerable heating occurred for both the point stars and the rod stars, whereas the use of spherical stars resulted in a very low heating rate. The use of spherical stars with the resulting low heating rate will be desirable for the study of large scale galactic stability or density wave propagation, since collective heating effects will no longer mask the phenomena under study.

Hohl, F.↗
NASA NTRS1975

Vibration-translation energy transfer in anharmonic diatomic molecules. 2: The vibrational quantum number dependence

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom was used to predict the variation of thermally averaged vibration-translation rate coefficients with temperature and initial-state quantum number. Multiple oscillator states were included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model was also used as a basis for evaluating several less complete but analytic models. Two computationally simple analytic approximations were found that successfully reproduced the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations were also identified. The relative rates of multiple-quantum transitions from excited states were evaluated for several molecular types.

Mckenzie, R. L.↗
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 NTRS1976

Vibration-translation energy transfer in anharmonic diatomic molecules. II - The vibrational quantum-number dependence

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom is used to predict the variation of thermally averaged vibrational-translational rate coefficients with temperature and initial-state quantum number. Multiple oscillator states are included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model is also used as a basis for evaluating several less complete, but analytic, models. Two computationally simple analytic approximations are found that successfully reproduce the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations are identified, and the relative rates of multiple-quantum transitions from excited states are evaluated for several molecular types.

Mckenzie, R. L.↗
NASA NTRS1976

Considerations of high altitude emissions

The status of the Federal Aviation Administration's High Altitude Pollution Program is described which was instituted to develop the detailed quantitative information needed to judge whether or not regulatory action to limit such exhaust emissions would be necessary. The complexities of this question and the nature and magnitude of uncertainties still present in our scientific understanding of the potential interactions between aircraft exhaust emissions and stratospheric ozone and climate are reviewed. The direction and scope of future Federal and international activities are described.

Broderick, A. J.↗
NASA NTRS1976

Electron scattering by highly polar molecules. I - KI

Electron-impact energy-loss spectra of KI were studied experimentally in the 15- to 130-deg angular range at impact energies of 6.7, 15.7, and 60 eV. The spectra reveal a number of excitation features which have not been detected previously and indicate that KI is a strong photon absorber in the vacuum-UV region. From the spectra, differential and integral electronically elastic and inelastic cross sections have been obtained by normalizing the experimental data to theoretical results at low scattering angles. Rotational excitation cross sections corresponding to delta j = 0, plus or minus 1, have been calculated using a dipole-plus-repulsive-core interaction potential and the distorted-wave approximation. For comparison, the rotational excitation cross sections have also been calculated in the Born point-dipole approximation.

Rudge, M. R. H.↗
NASA NTRS1978

Transport properties of monatomic carbon

Transport collision integrals for each of the 18 molecular C2 states that dissociate into ground state carbon atoms are presented. The integrals are obtained by fitting two-body semiempirical interaction potentials, for which the collision integrals are tabulated, to experimental and/or accurate theoretical calculations for each of these states. The collision integrals are applied to calculate the diffusion coefficient, viscosity, and translational contribution to the thermal conductivity of monatomic carbon at 1-atm pressure from 1000 K to 25,000 K. Because of ablation injection, monatomic carbon is an important flow field constituent of ablative flow during planetary entry, and knowledge of the transport properties for carbon species is required for calculating the flow field properties and surface heating.

Biolsi, L.↗
NASA NTRS1979

Physical processes in directed ion beam sputtering

The general operation of a discharge chamber for the production of ions is described. A model is presented for the magnetic containment of both primary and secondary or Maxwellian electrons in the discharge plasma. Cross sections were calculated for energy and momentum transfer in binary collisions between like pairs of Ar, Kr, and Xe atoms in the energy range from about 1 eV to 1000 eV. These calculations were made from available pair interaction potentials using a classical model. Experimental data from the literature were fit to a theoretical expression for the Ar resonance charge exchange cross section over the same energy range. A model was developed that describes the processes of conical texturing of a surface due to simultaneous directed ion beam etching and sputter deposition of an impurity material. This model accurately predicts both a minimum temperature for texturing to take place and the variation of cone density with temperature. It also provides the correct order of magnitude of cone separation. It was predicted from the model, and subsequently verified experimentally, that a high sputter yield material could serve as a seed for coning of a lower sputter yield substrate. Seeding geometries and seed deposition rates were studied to obtain an important input to the theoretical texturing model.

Robinson, R. S.↗
NASA NTRS1979

Material science and solid state physics studies with positive muon spin precession

The hyperfine field on the muon, B sub hf, at interstitial sites in dilute Fe(Al) alloys was measured for four different concentrations of Al and as a function of temperature by the muon spin rotation method. The magnitude of B sub hf, which is negative, decreases at rates ranging from 0.09 + or - 0.03% per at.% Al at 200 K to an asymptotic limit of 0.35 + or - far above 440 K. This behavior shows that sites near the Al impurity are weakly repulsive to the muon, with an interaction potential of 13 + or - 3 meV. In order to fit the temperature dependence of the hyperfine field, it is necessary to hypothesize the existence of a small concentration of unidentified defects, possibly dislocations, which are attractive to the muon. Although the Al impurity acts as a non-magnetic hole in the Fe lattice, the observed decrease in B sub hf is only 35% of the decrease in the bulk magnetization. It is concluded that B sub hf is determined mainly by the enhanced screening of conduction electrons in Fe and Fe(Al). Since the influence of the Al impurity on the neighboring Fe monents is very small, most of the change in B sub hf is therefore attributed to the increase in conduction electron polarization of the Al impurity.

Stronach, C. E.↗
NASA NTRS1982

Mechanisms of droplet combustion

The fundamental physico-chemical mechanisms governing droplet vaporization and combustion are discussed. Specific topics include governing equations and simplifications, the classical d(2)-Law solution and its subsequent modification, finite-rate kinetics and the flame structure, droplet dynamics, near- and super-critical combustion, combustion of multicomponent fuel blends/emulsions/suspensions, and droplet interaction. Potential research topics are suggested.

Law, C. K.↗
NASA NTRS1985

A T-matrix theory of galactic heavy-ion fragmentation

The theory of galactic heavy ion fragmentation is furthered by incorporating a T matrix approach into the description of the three step process of abrasion, ablation, and final state interations. The connection between this T matrix and the interaction potential is derived. For resonant states, the substitution of complex energies for real energies in the transition rate is formerly justified for up to third order processes. The previously developed abrasion-ablation fragmentation theory is rederived from first principles and is shown to result from time ordering, classical probability, and zero width resonance approximations. Improvements in the accuracy of the total fragmentation cross sections require an alternative to the latter two approximations. A Lorentz invariant differential abrasion-ablation cross section is derived which explicitly includes the previously derived abrasion total cross sections. It is demonstrated that spectral and angular distributions can be obtained from the general Lorentz invariant form.

Norbury, J. W.↗
NASA NTRS1985

Precision space structures

NASA large space structures efforts to date aimed towards large, flexible antenna-like structures (30-100M) with relatively long wavelengths (1-30cm) and moderate disturbances leading to some structure-control interaction. Potential missions in the OPTICS regime require small reflectors/mirrors, short wavelengths (visible to 100 microns), very tight tolerances in surface, alignment, pointing stability, as well as the potential of considerable on-board disturbances. For optics systems: figure/surface control can be quasi-static, active/passive isolation schemes are possible, vibration control is necessary, and the attitude control system can be low BW - Ground testing of reflectors and mirrors is more feasible than with antennas.

Soosaar, K.↗
NASA NTRS1984

Theoretical study of electron correlation effects in transition metal dimers

Introduction of partially localized orbitals is shown to reduce the number of terms needed to describe the bonding in transition metal clusters. Using this formalism, it is possible to compute the various intra- and inter-atomic electron correlation contributions to the bond energy. Calculations demonstrate the relative importance of several kinds of electron correlation terms involving the 3p, 3d, and 4s electrons. Improved interaction potentials are obtained for the dimers V(2) and Cr(2) when additional correlation is added to the CAS SCF results of Walch, Bauschlicher, Roos, and Nelin (1983).

Das, G. P.↗
NASA NTRS1985

Classical hard-sphere fluid in infinitely many dimensions

The equation of state of the fluid phase of the classical hard-sphere system in infinitely many dimensions has been obtained exactly. Only the first two virial coefficients are nonvanishing. The upper bound for the coefficients of the Mayer series for nonnegative interaction potentials is reached by this system.

Frisch, H. L.↗
NASA NTRS1985

Calculation of pressure broadening parameters for the CO-He system at low temperatures

Theoretical pressure broadening parameters were computed for the 0-1 and 1-2 rotational transitions of CO in He at very low temperatures and compared with the recent experimental measurements at 4.2 K. The interaction potential was taken from extensive SCF-CI calculations, molecular collision dynamics were described by essentially exact converged close coupling calculations, and pressure broadening cross sections were obtained from the collisional S matrices within the accurate Fano-Ben Reuven framework. Resonances at low collision energies give rise to an increase in the thermally averaged cross sections at low temperatures. Although previous calculations for this system at higher temperatures (77-300 K) were in good accord with experiment, at 4.2 K predicted values are about two times larger than experiment; possible sources of this discrepancy are discussed.

Green, S.↗
NASA NTRS1986

Symmetry considerations in the scattering of identical composite bodies

Previous studies of the interactions between composite particles were extended to the case in which the composites are identical. The form of the total interaction potential matrix elements was obtained, and guidelines for their explicit evaluation were given. For the case of elastic scattering of identical composites, the matrix element approach was shown to be equivalent to the scattering amplitude method.

Norbury, J. W.↗