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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Dissociative Ionization of Benzene by Electron Impact

We report a theoretical study of the dissociative ionization (DI) of benzene from the low-lying ionization channels. Our approach makes use of the fact that electron motion is much faster than nuclear motion and DI is treated as a two-step process. The first step is electron-impact ionization resulting in an ion with the same nuclear geometry as the neutral molecule. In the second step the nuclei relax from the initial geometry and undergo unimolecular dissociation. For the ionization process we use the improved binary-encounter dipole (iBED) model. For the unimolecular dissociation step, we study the steepest descent reaction path to the minimum of the ion potential energy surface. The path is used to analyze the probability of unimolecular dissociation and to determine the product distributions. Our analysis of the dissociation products and the thresholds of the productions are compared with the result dissociative photoionization measurements of Feng et al. The partial oscillator strengths from Feng et al. are then used in the iBED cross section calculations.

Huo, Winifred↗
NASA NTRS2008

Simulation of a Miniature, Low-Power Time-of-Flight Mass Spectrometer for In Situ Analysis of Planetary Atmospheres

We are implementing nano- and micro-technologies to develop a miniaturized electron impact ionization mass spectrometer for planetary science. Microfabrication technology is used to fabricate the ion and electron optics, and a carbon nanotube (CNT) cathode is used to generate the ionizing electron beam. Future NASA planetary science missions demand miniaturized, low power mass spectrometers that exhibit high resolution and sensitivity to search for evidence of past and present habitability on the surface and in the atmosphere of priority targets such as Mars, Titan, Enceladus, Venus, Europa, and short-period comets. Toward this objective, we are developing a miniature, high resolution reflectron time-of-flight mass spectrometer (Mini TOF-MS) that features a low-power CNT field emission electron impact ionization source and microfabricated ion optics and reflectron mass analyzer in a parallel-plate geometry that is scalable. Charged particle electrodynamic modeling (SIMION 8.0.4) is employed to guide the iterative design of electron and ion optic components and to characterize the overall performance of the Mini TOF-MS device via simulation. Miniature (less than 1000 cubic centimeters) TOF-MS designs (ion source, mass analyzer, detector only) demonstrate simulated mass resolutions greater than 600 at sensitivity levels on the order of 10(exp -3) cps/molecule N2/cc while consuming 1.3 W of power and are comparable to current spaceflight mass spectrometers. Higher performance designs have also been simulated and indicate mass resolutions approximately 1000, though at the expense of sensitivity and instrument volume.

King, Todd T.↗
NASA NTRS1993

Atmospheric energy input and ionization by energetic electrons during the geomagnetic storm of 8-9 November 1991

The Atmospheric X-ray Imaging Spectrometer (AXIS) of the Particle Environment Monitor investigation aboard the Upper Atmosphere Research Satellite monitors energy input to the upper atmosphere due to energetic electrons. Analysis of the AXIS data from the major geomagnetic storm of 8-9 November 1991 is presented. During the November storm, electrons above a few keV flowing into a substantially expanded auroral zone provided the bulk of the ionizing power to the upper atmosphere. At the peak of the disturbance the total AXIS-observed power reached 40 GW. On 9 November the whole day average atmospheric ionization rate in the auroral zone at 80 km altitude exceeded the rate due to solar UV and solar X-rays by a factor of over 10 to 100.

Chenette, D. L.↗
NASA NTRS1994

Theoretical investigation of wave-vector-dependent analytical and numerical formulations of the interband impact-ionization transition rate for electrons in bulk silicon and GaAs

The electron interband impact-ionization rate for both silicon and gallium arsenide is calculated using an ensemble Monte Carlo simulation with the expressed purpose of comparing different formulations of the interband ionization transition rate. Specifically, three different treatments of the transition rate are examined: the traditional Keldysh formula, a new k-dependent analytical formulation first derived by W. Quade, E. Scholl, and M. Rudan (1993), and a more exact, numerical method of Y. Wang and K. F. Brennan (1994). Although the completely numerical formulation contains no adjustable parameters and as such provides a very reliable result, it is highly computationally intensive. Alternatively, the Keldysh formular, although inherently simple and computationally efficient, fails to include the k dependence as well as the details of the energy band structure. The k-dependent analytical formulation of Quade and co-workers overcomes the limitations of both of these models but at the expense of some new parameterization. It is found that the k-dependent analytical method of Quade and co-workers produces very similar results to those obtained with the completely numerical model for some quantities. Specifically, both models predict that the effective threshold for impact ionization in GaAs and silicon is quite soft, that the majority of ionization events originate from the second conduction band in both materials, and that the transition rate is k dependent. Therefore, it is concluded that the k-dependent analytical model can qualitatively reproduce results similar to those obtained with the numerical model yet with far greater computational efficiency. Nevertheless, there exist some important drawbacks to the k-dependent analytical model of Quade and co-workers: These are that it does not accurately reproduce the quantum yield data for bulk silicon, it requires determination of a new parameter, related physically to the overlap intergrals of the Bloch state which can only be adjusted by comparison to experiment, and fails to account for any wave-vector dependence of the overlap integrals. As such the transition rate may be overestimated at those points for which 'near vertical,' small change in k, transitions occur.

Kolnik, Jan↗
NASA NTRS1994

Theoretical Investigation of Wave-Vector-Dependent Analytical and Numerical Formulations of the Interband Impact-Ionization Transition Rate for Electron in Bulk Silicon and GaAs

The electron interband impact-ionization rate for both silicon and gallium arsenide is calculated using an ensemble Monte Carlo simulation with the expressed purpose of comparing different formulations of the interband ionization transition rate. Specifically, three different treatments of the transition rate are examined: the traditional Keldysh formula, a new k-dependent analytical formulation first derived by W. Quade, E Scholl, and M. Rudan, and a more exact, numerical method of Y. Wang and K. F. Brennan. Although the completely numerical formulation contains no adjustable parameters and as such provides a very reliable result, it is highly computationally intensive. Alternatively, the Keldysh formula, although inherently simple and computationally efficient, fails to include the k dependence as well as the details of the energy band structure. The k-dependent analytical formulation of Quade and co-workers overcomes the limitations of both of these models but at the expense of some new parameterization. It is found that the k-dependent analytical method of Quade and co-workers produces very similar results to those obtained with (he completely numerical model for some quantities. Specifically, both models predict that the effective threshold for impact ionization in GaAs and silicon is quite soft, that the majority of ionization events originate from the second conduction band in both materials, and that the transition rate is k dependent. Therefore, it is concluded that the k-dependent analytical model can qualitatively reproduce results similar to those obtained with the numerical model yet with far greater computational efficiency. Nevertheless, there exist some important drawbacks to the k-dependent analytical model of Quade and co-workers: These are that it does not accurately reproduce the quantum yield data for bulk silicon, it requires determination of a new parameter, related physically to (he overlap integrals of the Bloch state which can only be adjusted by comparison to experiment, and fails to account for any wave-vector dependence of the overlap integrals. As such [he transition rate may be overestimated at those points for which "near vertical," small change in k, transitions occur.

Kolnik, Jan↗
NASA NTRS1994

The ionization of the diffuse ionized gas

The diffuse ionized gas (DIG), responsible for producing the faint but pervasive H(sub alpha), requires 15% of the power of all Galactic O stars for its ionization. No other source of ionization seems practical. The spectrum is strong in low stages of ionization (N II, SII), weak in (O III), and very weak in (O I) lambda 6300, at least in one well-observed direction, all significantly different from denser H II regions. We give low-density, low-excitation photoionization models that explain the observed spectrum. The lambda 6300 observation eliminates the simplest models for the DIG (Mathis 1986), in which neutral H extends beyond the edge of the very dilute stellar radiation field. Our present models include two components. One, representing the edges of interstellar H I clouds, extends to the point where H becomes neutral. In the second, the fraction of H(sup o) is not allowed to exceed 0.05 to 0.1. Both have very low values of the ionization parameter, or ratio of the number densities of ionizing photons to electrons. The ionization parameter required by our models is shown to be compatible with observed values of photon and electron densities in the diffuse interstellar medium. Interstellar dust is not important in either model. Predictions of the model are that the Galaxy is leaking about 4% of the ionizing radiation of at least the local O stars into the intergalactic medium, that (O II) lambda 3727 approximately equals 1.1 H(sub alpha), and that He(sup +)/H (sup +)) approximately equals 0.6 He/H. A major difficul ty of this picture is having ionizing radiation propagate from the ionizing stars in the plane of the Galaxy to the DIG. We suggest, as do Miller & Cox (1993), that the ionizing radiation from O stars produces holes or tunnels in the distribution of neutral H as seen from their positions, while we see a sky covered with H I sheets or filaments because we are not near a source of ionizing radiation. With our models, several interfaces between ionized and neutral gas are allowed before the observational limit on lambda 6300 is exceeded. Another difficulty is the gas-phase N(S(sup +))/N(H(sup o)) ratio toward the high-latitude star HD 93521 (Spitzer & Fitzpatrick 1993). We require (S/H) to be somewhat lower than solar, either because of depletion onto grains or a Galactic abundance gradient, so that the S(sup +) can be produced in each of separate H(sup o) and H(sup +) regions.

Domgorgen, H.↗
NASA NTRS1985

The ionization of atomic oxygen by electron impact

Single and double ionization of atomic oxygen by electron impact has been studied experimentally. The energy dependence of the specific ionization cross sections sigma(O+) and sigma(O2+) has been measured in the energy range 40-300 eV using a high-density atomic oxygen source not contaminated by metastable O(D-1) or O(S-1) atoms. The ratios of the measured cross sections to absolute values are given in a table.

Zipf, E. C.↗
NASA NTRS1974

The energy distribution cross section in threshold electron-atom impact ionization

The flatness of the energy differential cross section in impact ionization is derived analytically in the Wannier theory. However it is shown that the Wannier zone is confined to a region of the order E/5 is less than or equal to epsilon is less than or equal to 4E/5, where E is the available energy and epsilon is the energy of the electrons. By contrasting the known results of photoionization and photodetachment, one can cogently argue that in the complementary region where electrons share their energy very unequally the cross section rises to a value independent of E, and that this region determines the form of the threshold law.

Temkin, A.↗
NASA NTRS2010

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Liechty, Derek S.↗
NASA NTRS1982

Transport of energetic electrons in a fully ionized hydrogen plasma

A Monte Carlo method for calculating energetic electron transport in a plasma is presented. The energy loss and angular deflection due to Coulomb collisions as a function of travel distance and energy are derived for energetic electrons in a fully ionized plasma with a uniform magnetic field. Formulas which include the effect of nonuniform B fields on the angular deflection are derived. The Monte Carlo method is applied to the thick-target beam model in which the energetic electrons are injected vertically downward.

Bai, T.↗