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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

A Deep Search for Five Molecules in the 49 Ceti Debris Disk

Surprisingly strong CO emission has been observed from more than a dozen debris disks around nearby main-sequence stars. The origin of this CO is unclear, in particular whether it is left over from the protoplanetary disk phase or is second-generation material released from collisions between icy bodies like debris dust. The primary unexplored avenue for distinguishing the origin of the material is understanding its molecular composition. Here we present a deep search for five molecules (CN, HCN, HCO+, SiO, and CH3OH) in the debris disk around 49 Ceti. We take advantage of the high sensitivity of the Atacama Large Millimeter/submillimeter Array at Band 7 to integrate for 3.2 hr at modest spatial (1′′) and spectral (0.8 km s−1) resolution. Our search yields stringent upper limits on the flux of all surveyed molecular lines, which imply abundances relative to CO that are orders of magnitude lower than those observed in protoplanetary disks and solar system comets, and also those predicted in outgassing models of second-generation material. However, if CI shielding is responsible for extending the lifetime of any CO produced in second-generation collisions as proposed by Kral et al., then the line ratios do not reflect true ice phase chemical abundances but rather imply that CO is shielded by its own photodissociation product, CI, and other molecules are rapidly photodissociated by the stellar and interstellar radiation field.

Debris disks↗
NASA NTRS1993

Raman linewidths and rotationally inelastic collision rates in nitrogen

Using the N2-N2 interaction potential of van der Avoird et al. (1986) rotationally inelastic collision cross sections have been computed within the infinite order sudden (IOS) approximation, assuming the molecules are distinguishable. Methods for enforcing detailed balance and correcting for effects of inelasticity, which are ignored in the IOS approximation, are considered, including the energy corrected sudden (ECS) method. Suitably averaged cross sections are compared with experimental Raman Q-branch linewidths for temperatures from 295 to 1500 K and with recently measured room temperature state-to-state rates. Agreement is rather good, especially if ECS corrections are applied.

Green, Sheldon↗
NASA NTRS1977

Energy threshold effects in the collisionless dissociation of polyatomic molecules by ir laser radiation

The threshold for collisionless dissociation of SF6, SiF4, and CF2Cl2 by focused CO2 laser radiation has been measured. This threshold is a laser pulse energy effect and, within experimental error, is found to be the same for all three gases. Provided collisions cannot occur during the laser pulse, the degree of dissociation produced depends only on the energy in the pulse, which is consistent with simple adiabatic vibrational heating of the molecules by the laser.

Gower, M. C.↗
NASA NTRS1984

Ejection of atoms and molecules from Io by plasma-ion impact

The directions and energy distributions of neutral atoms and molecules ejected from Io are modeled analytically. The particles are emitted from the Io exosphere by collisions of incident plasma ions. Some of the Io atmosphere is attributed to particles sputtered off the surface by incoming plasma ions, while other departing particles originate at the top of volcanic plumes. Account is taken of the thermal motion of incident plasma and Io's gravitational field when calculating the distribution of the ejected particles. The distributions associated with each type of ejection force are projected to be different and highly dependent on the inclusion of realistic cross-sections. Attention is focused on Na-rich species and defining ejection processes which can be verified with ground-based observations. It is, however, concluded that no particles are ejected directly from the surface by Jean's escape.

Sieveka, E. M.↗
NASA NTRS1993

Statistical modeling of capture, association, and exit-channel dynamics in the CH3(+)/CH3CN system

The ion-molecule CH3(+) + CH3CN reaction is presently modeled by means of a master equation treatment incorporating weak collisions. The parameter required for the Rice-Ramsberger-Kassel-Markus (RRKM) treatment is derived from an ab initio investigation of the energy surface in question, and a means of including the capture rate coefficients in the RRKM approach is developed in which only the hindered dipole rotation is coupled in the reaction coordinate at large separations. Unimolecular rate coefficients for the (CH3CNCH3+)-activated complex are calculated for all product channels in the 300-600 K temperature range.

Smith, S. C.↗
NASA NTRS1995

Operation of the computer model for direct atomic oxygen exposure of Earth satellites

One of the primary causes of material degradation in low Earth orbit (LEO) is exposure to atomic oxygen. When atomic oxygen molecules collide with an orbiting spacecraft, the relative velocity is 7 to 8 km/sec and the collision energy is 4 to 5 eV per atom. Under these conditions, atomic oxygen may initiate a number of chemical and physical reactions with exposed materials. These reactions contribute to material degradation, surface erosion, and contamination. Interpretation of these effects on materials and the design of space hardware to withstand on-orbit conditions requires quantitative knowledge of the atomic oxygen exposure environment. Atomic oxygen flux is a function of orbit altitude, the orientation of the orbit plan to the Sun, solar and geomagnetic activity, and the angle between exposed surfaces and the spacecraft heading. We have developed a computer model to predict the atomic oxygen exposure of spacecraft in low Earth orbit. The application of this computer model is discussed.

Bourassa, R. J.↗
NASA NTRS1995

Model atmospheres for M (sub)dwarf stars. 1: The base model grid

We have calculated a grid of more than 700 model atmospheres valid for a wide range of parameters encompassing the coolest known M dwarfs, M subdwarfs, and brown dwarf candidates: 1500 less than or equal to T(sub eff) less than or equal to 4000 K, 3.5 less than or equal to log g less than or equal to 5.5, and -4.0 less than or equal to (M/H) less than or equal to +0.5. Our equation of state includes 105 molecules and up to 27 ionization stages of 39 elements. In the calculations of the base grid of model atmospheres presented here, we include over 300 molecular bands of four molecules (TiO, VO, CaH, FeH) in the JOLA approximation, the water opacity of Ludwig (1971), collision-induced opacities, b-f and f-f atomic processes, as well as about 2 million spectral lines selected from a list with more than 42 million atomic and 24 million molecular (H2, CH, NH, OH, MgH, SiH, C2, CN, CO, SiO) lines. High-resolution synthetic spectra are obtained using an opacity sampling method. The model atmospheres and spectra are calculated with the generalized stellar atmosphere code PHOENIX, assuming LTE, plane-parallel geometry, energy (radiative plus convective) conservation, and hydrostatic equilibrium. The model spectra give close agreement with observations of M dwarfs across a wide spectral range from the blue to the near-IR, with one notable exception: the fit to the water bands. We discuss several practical applications of our model grid, e.g., broadband colors derived from the synthetic spectra. In light of current efforts to identify genuine brown dwarfs, we also show how low-resolution spectra of cool dwarfs vary with surface gravity, and how the high-regulation line profile of the Li I resonance doublet depends on the Li abundance.

Allard, France↗
NASA NTRS1974

Vibration-translation energy transfer in anharmonic diatomic molecules. 1: A critical evaluation of the semiclassical approximation

The semiclassical approximation is applied to anharmonic diatomic oscillators in excited initial states. Multistate numerical solutions giving the vibrational transition probabilities for collinear collisions with an inert atom are compared with equivalent, exact quantum-mechanical calculations. Several symmetrization methods are shown to correlate accurately the predictions of both theories for all initial states, transitions, and molecular types tested, but only if coupling of the oscillator motion and the classical trajectory of the incident particle is considered. In anharmonic heteronuclear molecules, the customary semiclassical method of computing the classical trajectory independently leads to transition probabilities with anomalous low-energy resonances. Proper accounting of the effects of oscillator compression and recoil on the incident particle trajectory removes the anomalies and restores the applicability of the semiclassical approximation.

Mckenzie, R. L.↗
NASA NTRS1989

Collisional excitation of interstellar molecules - Deuterated water, HDO

Using an accurate theoretical interacting potential and coupled-channel molecular scattering calculations, excitation rates for deuterated water (HDO) in collisions with He atoms were computed. Data are presented for rates among the 34 rotational levels with energy below 400/cm for temperatures between 50 and 500 K. Excitation rate constants were determined using data from fixed energy cross sections averaged over thermal (Boltzmann) distributions of collision energies. Based on the agreement (for H2O) of rates from two different theoretical potentials and on agreement with the limited experimental data, the larger rates for HDO were estimated to be generally accurate to better than 50 percent.

Green, Sheldon↗
NASA NTRS1986

Knudsen diffusion - The effect of small pore size and low gas pressure on gaseous transport in soil

The analytical principles and applications of the theory of Knudsen diffusion are reviewed, with emphasis on gas transport in the soils of planetary bodies. Knudsen diffusion occurs when the mean free path of diffusing gas molecules surpasses the size of the pores through which diffusion proceeds. The process is then dominated by collisions with the pore walls. Computational techniques for deriving the Knudsen coefficient for soils with a nonreentrant cross-section shape are reviewed, along with methods of deriving a coefficient for soils which permit both Knudsen and bulk diffusion. Sample calculations for three pore-size distributions are provided to illustrate the decrease in transport efficiency with increasingly smaller soil pore sizes.

Clifford, S. M.↗
NASA NTRS1991

Viscosity of high-temperature iodine

The viscosity coefficient of iodine in the temperature range 500 - 3000 K is calculated. Because of the low dissociation energy of the I2 molecules, the dissociation degree of the gas increases quickly with temperature, and I + I2 and I + I collisions must be taken into account in calculation of viscosity at temperatures greater than 1000 deg. Several possible channels for atom-atom interaction are considered, and the resulting collision integrals are averaged over all the important channels. It is also shown that the rigid-sphere model is inaccurate in predictions of the viscosity.

Kang, Steve H.↗
NASA NTRS1975

Vibration-translation energy transfer in anharmonic diatomic molecules. I - A comparative evaluation of the semiclassical approximation

The semiclassical approximation (quantum oscillator, classical path) is applied to anharmonic diatomic oscillators in excited initial states. Multistate numerical solutions giving the vibrational transition probabilities for collinear collisions with an inert atom are compared with equivalent, exact quantum-mechanical calculations. Several symmetrization methods are shown to correlate accurately the predictions of both theories for all initial states, transitions, and molecular types tested, but only if coupling of the oscillator motion and the classical trajectory of the incident particle is considered. In anharmonic heteronuclear molecules, the customary semiclassical method of computing the classical trajectory independently leads to transition probabilities with anomalous low-energy resonances. Proper accounting of the effects of oscillator compression and recoil on the incident particle trajectory removes the anomalies and restores the applicability of the semiclassical approximation.

Mckenzie, R. L.↗
NASA NTRS1973

A Saturnian gas ring and the recycling of Titan's atmosphere

Atoms which escape Titan's atmosphere are unlikely to possess escape velocity from Saturn and can orbit the planet until lost by ionization or collision with Titan. It is predicted that a toroidal ring of between 1 and 1,000 atoms or molecules per cubic centimeter exists around Saturn at a distance of about 10 times the radius of the visible rings. This torus may be detectable from earth orbit and detection or nondetection of it may provide some information about the presence or absence of a Saturnian magnetic field, and the exospheric temperature and atmospheric escape rate of Titan. It is estimated that, if Titan has a large exosphere, 97% or more of the escaping atoms can be recaptured by Titan, thereby decreasing the effective net atmospheric loss rate by up to two orders of magnitude. It is shown that, if Saturn has a magnetic field comparable to Jupiter's the magnetospheric plasma can supply Titan with hydrogen at a rate comparable to the loss rates in some of the models of Trafton (1972) and Sagan (1973).

Mcdonough, T. R.↗
NASA NTRS1992

The cometary contribution to prebiotic chemistry

The chemical composition of cometary nuclei is examined to estimate the potential contribution of volatiles to the prebiotic earth from cometary collisions. Observations of cometary nuclei are reviewed to describe the chemical evolution of the objects and their theoretical potential for affecting the terrestrial environment. Specific attention is given to the plausibility of the single-impact formation of the earth-moon system, and experiments are proposed for testing the present theories. It is proposed that significant contributions of biogenic elements such as C, H, N, O, P, and S resulted from these nuclei colliding with the earth. Observations of the solar atmosphere and of the circumstellar shells of C-rich stars indicate that compounds such as CO, C2, and H2O were not pyrolyzed as a result of collision events. The compounds are theorized to have established the foundation for the abiotic synthesis of key biochemical molecules.

Oro, J.↗
NASA NTRS1992

Negative-ion formation in the explosives RDX, PETN, and TNT by using the reversal electron attachment detection technique

First results of a beam-beam, single-collision study of negative-ion mass spectra produced by attachment of zero-energy electrons to the molecules of the explosives RDX, PETN, and TNT are presented. The technique used is reversal electron attachment detection (READ) wherein the zero-energy electrons are produced by focusing an intense electron beam into a shaped electrostatic field which reverses the trajectory of electrons. The target beam is introduced at the reversal point, and attachment occurs because the electrons have essentially zero longitudinal and radial velocity. The READ technique is used to obtain the 'signature' of molecular ion formation and/or fragmentation for each explosive. Present data are compared with results from atmospheric-pressure ionization and negative-ion chemical ionization methods.

Boumsellek, S.↗
NASA NTRS1971

Semiclassical vibration-rotation transition probabilities for motion in molecular state averaged potentials.

Collision-induced vibration-rotation transition probabilities are calculated from a semiclassical three-dimensional model, in which the collision trajectory is determined by the classical motion in the interaction potential that is averaged over the molecular rotational state, and compared with those for which the motion is governed by a spherically averaged potential. For molecules that are in highly excited rotational states, thus dominating the vibrational relaxation rate at high temperature, it is found that the transition probability for rotational state averaging is smaller than that for spherical averaging. For typical collisions, the transition cross section is decreased by a factor of about 1.5 to 2.

Stallcop, J. R.↗
NASA NTRS1972

Linear momentum transfer effects in molecular dissociation produced by electron impact.

In this study of molecular dissociation produced by electron impact, diatomic systems and polyatomic molecules are considered, and attention is given to the effects of thermal motion and of momentum transfer in the collision process. A procedure is described which makes it possible to 'construct' both the laboratory angular distribution and velocity distribution of the atomic fragments (or, alternatively, the time-of-flight distribution). The calculation assumes that s-wave electron scattering predominates, i.e., that excitation occurs near threshold. The computational procedure may also be reversed to allow construction of possible molecular models to fit given experimental angular and velocity distribution data.

Misakian, M.↗
NASA NTRS1990

Rotational-translational energy transfer in rarefied nonequilibrium flows

A new model for simulating the transfer of energy between the translational and rotational modes is derived for a homogeneous gas of diatomic molecules. The model has been developed specifically for use in discrete particle simulation methods where molecular motion and intermolecular collisions are treated at the molecular level. A temperature dependence is introduced which has been predicted by theory and observed in experiment. The new model is applied to the relaxation of rotational temperature, and is found to produce significant differences in comparison with the model normally employed at both high and low temperatures. Calculations have also been performed for a Mach 7 normal shock wave.

Boyd, Iain D.↗