Search NASA⌕ Search

SEARCH · Search NASA

Results for “molecular collisions”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Computational Study of Electron-Molecule Collisions Related to Low-Temperature Plasmas

Computational study of electron-molecule collisions not only complements experimental measurements, but can also be used to investigate processes not readily accessible experimentally. A number of ab initio computational methods are available for these types of calculations. Here we describe a recently developed technique, the finite element Z-matrix method, Analogous to the R-matrix, method, it partitions the space into regions and employs real matrix elements. However, unlike the implementation of the R-matrix method commonly used in atomic and molecular physics, the Z-matrix method is fully variational. In the present implementation, a mixed basis of finite elements and Gaussians is used to represent the continuum electron, thus offering full flexibility without imposing fixed boundary conditions. Numerical examples include the electron-impact dissociation of N2 via the metastable A3Su+ state, a process which may be important in the lower thermosphere, and the dissociation of the CF radical, a process of interest to plasma etching. To understand the dissociation pathways, large scale quantum chemical calculations have been carried out for all target states which dissociate to the lowest five limits in the case of N2, and to the lowest two limits in the case of CF. For N2, the structural calculations clearly show the preference for predissociation if the initial state is the ground X1 Sg+ state, but direct dissociation appears to be preferable if the initial state is the A3Su+ state. Multi-configuration SCF target functions are used in the collisional calculation.

Huo, Winifred M.↗
NASA NTRS1981

The energetics of molecular clouds. IV - The S88 molecular cloud

The S88 molecular cloud has been observed in several molecular lines and at infrared wavelengths from 1 to 100 microns. The CO emission has a single, sharp peak which is near the H-alpha emission region S88 B and centered on a compact H II region observed in the radio continuum. The infrared observations indicate that the principal luminosity source is located near the radio continuum peak and is hidden behind substantial extinction, presumably from the molecular cloud. The molecular cloud has a size of about 6.5 pc and a mass of about 5,000 solar masses at an assumed distance of 2 kpc. Regions of very high density (more than 10,000/cu cm) do not seem to be present. Analysis of the energetics leads to a predicted dust cooling rate in good agreement with the infrared observations, which indicate L = 180,000 solar luminosities. A more detailed examination of the energetics indicates that densities may be insufficient for collisions of molecules with warm dust grains to heat the gas to the observed kinetic temperature.

Evans, N. J., II↗
NASA NTRS1990

Formation of the earth

The origin of the earth is discussed in the context of the formation of the sun and the planets, and a standard model for such a formation assuming gravitational instability in a dense interstellar molecular cloud is outlined, along with the most significant variant of the model in which the loss of the nebular gas occurred after the formation of the earth. The formation of the sun and solar nebulae is addressed, and the coagulation of grains and the formation of small planetesimals are covered, along with the gravitational accumulation of planetesimals into planetary embryos and final stages of accumulation - embryos of planets. It is pointed out that the final stage of accumulation consists of the collision of these embryos; because of their large size, particularly after their further growth, these collisions represent giant impacts. It is concluded that the earth was initially an extremely hot and melted planet, surrounded by a fragile atmosphere and subject to violent impacts by bodies of the size of Ceres and even the moon.

Wetherill, George W.↗
NASA NTRS1975

Monte Carlo simulation of energy deposition by low-energy electrons in molecular hydrogen

A set of detailed atomic cross sections has been used to obtain the spatial deposition of energy by 1-20-eV electrons in molecular hydrogen by a Monte Carlo simulation of the actual trajectories. The energy deposition curve (energy per distance traversed) is quite peaked in the forward direction about the entry point for electrons with energies above the threshold of the electronic states, but the peak decreases and broadens noticeably as the electron energy decreases below 10 eV (threshold for the lowest excitable electronic state of H2). The curve also assumes a very symmetrical shape for energies below 10 eV, indicating the increasing importance of elastic collisions in determining the shape of the curve, although not the mode of energy deposition.

Heaps, M. G.↗
NASA NTRS2003

Impacts and evolution: future prospects

The discipline of astrobiology includes the dynamics of biological evolution. One of the major ways that the cosmos influences life is through the catastrophic environmental disruptions caused when comets and asteroids collide with a planet. We now recognize that such impacts have caused mass extinctions and played a major role in determining the evolution of life on Earth. The time-averaged impact flux as a function of projectile energy can be derived from lunar cratering statistics as well as the current population of near Earth asteroids (NEAs). Effects of impacts of various energies can be modeled, using data from historic impacts [such as the Cretaceous-Tertiary (KT) impactor 65 million years ago] and the observed 1994 bombardment of Jupiter by fragments of Comet Shoemaker-Levy 9. It is of particular interest to find from such models that the terrestrial environment is highly vulnerable to perturbation from impacts, so that even such a small event as the KT impact (by a projectile 10-15 km in diameter) can lead to a mass extinction. Similar considerations allow us to model the effects of still smaller (and much more likely) impacts, down to the size of the asteroid that exploded over Tunguska in 1908 (energy approximately 10 megatons). Combining the impact flux with estimates of environmental and ecological effects reveals that the greatest contemporary hazard is associated with impactors near 1 million megatons in energy (approximately 2 km in diameter for an asteroid). The current impact hazard is significant relative to other natural hazards, and arguments can be developed to illuminate a variety of public policy issues. The first priority in any plan for defense against impactors is to survey the population of Earth-crossing NEAs and project their orbits forward in time. This is the purpose of the Spaceguard Survey, which has already found more than half of the NEAs >1 km in diameter. If there is an NEA on a collision course with Earth, it can be discovered and the impact predicted with decades or more of warning. It is then possible to consider how to deflect or disrupt the NEA. Unlike other natural hazards, the impact risk can be largely eliminated, given sufficient advanced knowledge to take action against the threatening projectile.

Directed Molecular Evolution↗
NASA NTRS1990

New parameter-free polarization potentials in low-energy positron collisions

The polarization potential plays a decisive role in shaping up the cross sections in low energy positron collisions with atoms and molecules. However, its inclusion without involving any adjustable parameter, is still a challenge. Various other techniques employed so far for positron collisions are summarized, and a new, nonadjustable and very simple form of the polarization potential for positron-atom (molecule) collisions below the threshold of positronium formation is discussed. This new recently proposed potential is based on the correlation energy of a single positron in a homogeneous electron gas. The correlation energy was calculated by solving the Schrodinger equation of the positron-electron system and fitted to an analytical form in various ranges of the density parameter. In the outside region, the correlation energy is joined smoothly with the correct asymptotic form. This new positron correlation polarization (PCOP) potential was tested on several atomic and molecular targets such as the Ar, CO, and CH4. The results on the total and differential cross sections on these targets are shown along with the experimental data where available.

Jain, Ashok↗
NASA NTRS1982

Fragmentation, protostellar winds, and star formation

Aspects of the current theory of molecular-cloud (MC) evolution and star formation are reviewed, with consideration of recent star and MC observations. The problem of MC collapse is discussed in terms of fragmentation in spherically symmetric collapse, the role of magnetic fields and density fluctuations, anisotropic collapse, and nonlinear interactions between fragments. Protostellar winds are identified as the source of the energy supporting MC against collapse, sweeping shells of mass into MC to produce low-mass stars continuously, and sustaining the production of massive stars once it is triggered by the collision of MCs, as in the spiral density-wave peaks. The clumping and coagulation processes are considered for the case of the MC in Orion. The protostellar-wind mass input required to inhibit systematic MC-core collapse is estimated at 10 to the -6th solar mass/cu pc year.

Silk, J.↗
NASA NTRS1981

The energetics of molecular clouds. III - The S235 molecular cloud

The molecular cloud associated with the S235 H II region has been studied by means of molecular lines and near-infrared observations. The cloud consists of two components, one of which partly surrounds the S235 H II region. The other component contains a dense, hot region of active star formation, marked by self-reversed CO profiles, compact H II regions, masers, and infrared sources. From the molecular line data, the size and mass of the two components are estimated to be 6-8 pc and 3000-4000 solar masses. More detailed studies near the region of active star formation yield estimates of density (approximately 200,000-500,000/cu cm) and the abundances of H2CO, HCO(+), HCN, and (C-13)O. Analysis of the energetics suggests that the cloud is heated by the exciting star of S235 and by the exciting stars of the compact H II regions. Assuming that the gas is heated by collisions with warm dust grains, the far-infrared luminosity has been predicted. The observations of far-infrared emission are in reasonable agreement with predictions.

Evans, N. J., II↗
NASA NTRS2013

An Update on the Non-Mass-Dependent Isotope Fractionation under Thermal Gradient

Mass flow and compositional gradient (elemental and isotope separation) occurs when flu-id(s) or gas(es) in an enclosure is subjected to a thermal gradient, and the phenomenon is named thermal diffusion. Gas phase thermal diffusion has been theoretically and experimentally studied for more than a century, although there has not been a satisfactory theory to date. Nevertheless, for isotopic system, the Chapman-Enskog theory predicts that the mass difference is the only term in the thermal diffusion separation factors that differs one isotope pair to another,with the assumptions that the molecules are spherical and systematic (monoatomic-like structure) and the particle collision is elastic. Our previous report indicates factors may be playing a role because the Non-Mass Dependent (NMD) effect is found for both symmetric and asymmetric, linear and spherical polyatomic molecules over a wide range of temperature (-196C to +237C). The observed NMD phenomenon in the simple thermal-diffusion experiments demands quantitative validation and theoretical explanation. Besides the pressure and temperature dependency illustrated in our previous reports, efforts are made in this study to address issues such as the role of convection or molecular structure and whether it is a transient, non-equilibrium effect only.

Sun, Tao↗
NASA NTRS2017

Investigation of the High-Energy Oxidation of FiberForm from DSMC Analysis of Molecular Beam Experiments

A collaborative effort between the University of Illinois at Urbana-Champaign (UIUC), NASA Ames Research Center (ARC) and Montana State University (MSU) succeeded at developing a new finite-rate carbon oxidation model from molecular beam scattering experiments on vitreous carbon (VC). We now aim to use the direct simulation Monte Carlo (DSMC) code SPARTA to apply the model to each fiber of the porous fibrous Thermal Protection Systems (TPS) material FiberForm (FF). The detailed micro-structure of FF was obtained from X-ray micro-tomography and then used in DSMC. Both experiments and simulations show that the CO/O products ratio increased at all temperatures from VC to FF. We postulate this is due to the larger number of collisions an O atom encounters inside the porous FF material compared to the flat surface of VC. For the simulations, we particularly focused on the lowest and highest temperatures studied experimentally, 1023 K and 1823 K, and found good agreement between the finite-rate DSMC simulations and experiments.

Oxidation↗
NASA NTRS1973

Laboratory determination of the luminous efficiency of meteor constituents

A crossed beam apparatus has been used to measure the emission and ionization cross sections for the prominent spectral features of Na, Ca, Mg, and Fe in collisions with N2 and O2 over the velocity range of 30 to 120 km/s. From the emission and ionization cross sections, the absolute luminous efficiencies in air were determined over the range of meteor velocities. The maximum luminous efficiencies for the brightest features were: greater than 1 percent for the Na D-lines, 0.2 percent for the Ca I(2) singlet, 0.06 percent for the Mg I(2) and Mg I(3) triplets, and 0.4 percent for Fe over the visible spectral range. These luminous efficiencies are valid for free molecular flow conditions for velocities above about 30 km/s and are directly applicable to spectroscopic observations of faint meteors. In contrast to previous work, the luminous efficiency found for stone in the present investigation decreased with velocity above about 50 km/s.

Savage, H. F.↗
NASA NTRS1985

An infrared study of the NGC 1977 H II region/molecular cloud interface

The results of an infrared study of the H II region NGC 1977 and the adjacent dense molecular cloud are reported. Extensive far-infrared maps with 45 arcsec resolution allow the spatial structure of the dust temperature and optical depth variations across the ionization front to be delineated. Analysis of the dust energetics indicates that the only significant energy source is the B1 V star HD 37018 which ionizes the H II region. This result, together with a favorable geometry, provides a good opportunity to determine the ratio of ultraviolet absorption efficiency to far-infrared emission efficiency, 790 + 460 or - 180. Analysis of the gas energetics indicates that collisions with warm dust grains can explain the observed gas temperatures.

Makinen, P.↗
NASA NTRS1995

Equiparatition of energy for turbulent astrophysical fluids: Accounting for the unseen energy in molecular clouds

Molecular clouds are observed to be partially supported by turbulent pressure. The kinetic energy of the turbulence is directly measurable, but the potential energy, which consists of magnetic, thermal, and gravitational potential energy, is largly unseen. We have extended previous results on equipartition between kinetic and potential energy to show that it is likely to be a very good approximation in molecular clouds. We have used two separate approaches to demonstrate this result: For small-amplitude perturbations of a static equilibrium, we have used the energy principle analysis of Bernstein et al. (1958); this derivation applies to perturbations of arbitary wavelength. To treat perturbations of a nonstatic equilibrium, we have used the Lagrangian analysis of Dewar (1970); this analysis applies only to short-wavelength perturbations. Both analysis assume conservation of energy. Wave damping has only a small effect on equipartition if the wave frequency is small compared to the neutral-ion collision frequency; for the particular case we considered, radiative losses have no effect on equipartition. These results are then incorporated in a simple way into analyses of cloud equilibrium and global stability. We discuss the effect of Alfvenic turbulence on the Jeans mass and show that it has little effect on the magnetic critical mass.

Zweibel, Ellen G.↗
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 NTRS1977

Study of the potential for improving the economics of hydrogen liquefaction through the use of centrifugal compressors and the addition of a heavy water plant

An approach to the liquefaction of hydrogen was developed which permits the application of standard centrifugal compressors in place of reciprocating machines. A second fluid, such as propane, is added to the hydrogen prior to compression to form a mixture having a molecular weight much greater than that of hydrogen alone, so that a standard centrifugal compressor can be used. After compression, the mixture is cooled to cryogenic temperature levels where the propane condenses out of the mixture and is separated as a liquid. Since a small amount of deuterium is produced during hydrogen liquefaction, the potential of recovering deuterium and selling it as a co-product was investigated. Deuterium, in the form of heavy water, can be used in certain nuclear reactors as a neutron moderator to reduce the neutron velocity and enhance the probability of neutron collision with uranium nucleii.

Baker, C. R.↗
NASA NTRS1996

Observation of Vibrational Relaxation Dynamics in X(sup 3)Sigma(sup -)(sub g) Oxygen Following Stimulated Raman Excitation to the v=1 Level: Implications for the RELIEF Flow Tagging Technique

The vibrational relaxation of ground-state molecular oxygen (O2, X(sup 3)Sigma(sup -)(sub g)) has been observed, following stimulated Raman excitation to the first excited vibrational level (v=1). Time delayed laser-induced fluorescence probing of the ro-vibrational population distribution was used to examine the temporal relaxation behavior. In the presence of water vapor, the relaxation process is rapid, and is dominated by near-resonant vibrational energy exchange between the v=1 level of O2 and the n2 bending mode of H2O. In the absence of H2O, reequilibration proceeds via homogeneous vibrational energy transfer, in which a collision between two v=1 O2 molecules leaves one molecule in the v=2 state and the other in the v=0 state. Subsequent collisions between molecules in v=1 and v>1 result in continued transfer of population up the vibrational ladder. The implications of these results for the RELIEF flow tagging technique are discussed.

Diskin, Glenn S.↗
NASA NTRS1981

Radio observations of molecules in the interstellar gas

Since 1968, radio astronomy has made it possible to identify nearly 50 molecules in the dense concentrations of the interstellar gas now generally termed molecular clouds. Most interstellar molecules are familiar stable compounds. However, one-fifth of the discovered species are ions, radicals, and acetylenic carbon chains so reactive in the laboratory that before being detected in space they had rarely been observed or were entirely unknown. The heavy atom backbone of the known interstellar molecules is a linear chain of C, N, O, or S. Si is found in two diatomic molecules. Rings and branched chains are missing. The most readily observed spectral lines of most interstellar molecules correspond to rotational transitions at millimeter wavelengths. These are generally excited by H2 collisions. A number of rare isotopic species are observed in interstellar molecules. Isotopic ratios differing from those on Earth exist, and can in almost all cases be attributed to stellar nucleosynthesis since the formation of the solar system.

Thaddeus, P.↗
NASA NTRS1995

Applications of Quantum Theory of Atomic and Molecular Scattering to Problems in Hypersonic Flow

The general status of a grant to investigate the applications of quantum theory in atomic and molecular scattering problems in hypersonic flow is summarized. Abstracts of five articles and eleven full-length articles published or submitted for publication are included as attachments. The following topics are addressed in these articles: fragmentation of heavy ions (HZE particles); parameterization of absorption cross sections; light ion transport; emission of light fragments as an indicator of equilibrated populations; quantum mechanical, optical model methods for calculating cross sections for particle fragmentation by hydrogen; evaluation of NUCFRG2, the semi-empirical nuclear fragmentation database; investigation of the single- and double-ionization of He by proton and anti-proton collisions; Bose-Einstein condensation of nuclei; and a liquid drop model in HZE particle fragmentation by hydrogen.

Malik, F. Bary↗