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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

A Laboratory and Theoretical Study of Silicon Hydroxide SiOH

The rotational spectrum of the triatomic free radical SiOH in its X 2A' ground electronic state has been observed in a supersonic molecular beam by Fourier transform microwave spectroscopy. The fundamental (10,1 yields 00,0) transition has been detected for normal SiOH and for three rare isotopic species: (30)SiOH, Si(18)OH, and SiOD. The same transition has also been observed in two of three excited vibrational states, v2 and v3, for the most abundant species. Precise spectroscopic constants, including those that describe the effective spin doubling and hydrogen hyperfine structure, have been derived for each isotopic species or vibrational state. To complement the laboratory work, theoretical calculations of the structure, dipole moment, and energies of the X 2A' and low-lying 1 2A'' states have also been undertaken at the coupled cluster level of theory. In agreement with theoretical predictions, we conclude from the hyperfine constants that SiOH is a best described as a pi-type radical, with the unpaired electron localized on a p orbital on the silicon atom. Assuming a bond angle of 118.5 deg, the Si-O bond length is 1.647(2) Angstroms and the O-H bond length is 0.969(4) Angstrom.

McCarthy, M. C.↗
NASA NTRS1988

A two-dimensional theory of plasma contactor clouds used in the ionosphere with an electrodynamic tether

Plasma contactors have been proposed as a means of making good electrical contact between biased surfaces such as found at the ends of an electrodynamic tether and the space environment. A plasma contactor is a plasma source which emits a plasma cloud which facilitates the electrical connection. The physics of this plasma cloud is investigated for contactors used as electron collectors and it is shown that contactor clouds in space will consist of a spherical core possibly containing a shock wave. Outside of the core the cloud will expand anisotropically across the magnetic field leading to a turbulent cigar shape structure along the field. This outer region is itself divided into two regions by the ion response to the electric field. A two-dimensional theory of the motion of the cloud across the magnetic field is developed. The current voltage characteristic of an Argon plasma contactor cloud is estimated for several ion currents in the range of 1-100 Amperes. It is shown that small ion current contactors are more efficient than large ion current contactors. This suggests that if a plasma contactor is used on an electrodynamic tether then a miltiple tether array will be more efficient than a single tether.

Hastings, D. E.↗
NASA NTRS1983

Mirror instability and origin of morningside auroral structure

Auroral optical imagery shows marked differences between auroral features of the evening and morning sectors: the separation between diffuse and discrete auroras in the evening sector is not distinct in the morning sector, which is dominated by auroral patches and multiple banded structures aligned along some direction. Plasma distribution function signatures also show marked differences: downward electron beams and inverted-V signatures prefer the evening sector, while the electron spectra on the morning sector are similar to the diffuse aurora. A theory of morningside auroras consistent with these features was constructed. The theory is based on modulation of the growth rates of electron cyclotron waves by the mirror instability, which is in turn driven by inward-convected ions that have become anisotropic. This modulation produces alternating bands of enhanced and reduced electron precipitation which approximate the observed multiple auroral bands and patches of the morning sector.

Chiu, Y. T.↗
NASA NTRS1983

Upstream waves and particles /Tutorial Lecture/

The plasma waves, MHD waves, energetic electrons and ions associated with the proximity of the region upstream from terrestrial, planetary and interplanetary shocks are discussed in view of observations and current theories concerning their origin. These waves cannot be separated from the study of shock structure. Since the shocks are supersonic, they continually overtake any ULF waves created in the plasma in front of the shock. The upstream particles and waves are also of intrinsic interest because they provide a plasma laboratory for the study of wave-particle interactions in a plasma which, at least at the earth, is accessible to sophisticated probing. Insight may be gained into interstellar medium cosmic ray acceleration through the study of these phenomena.

Russell, C. T.↗
NASA NTRS1997

Computational Nanotechnology Program

The objectives are: (1) development of methodological and computational tool for the quantum chemistry study of carbon nanostructures and (2) development of the fundamental understanding of the bonding, reactivity, and electronic structure of carbon nanostructures. Our calculations have continued to play a central role in understanding the outcome of the carbon nanotube macroscopic production experiment. The calculations on buckyonions offer the resolution of a long controversy between experiment and theory. Our new tight binding method offers increased speed for realistic simulations of large carbon nanostructures.

Scuseria, Gustavo E.↗
NASA NTRS1985

Magnetospheric and ionospheric plasmas; Proceedings of the Ninth Symposium and Topical Meeting, Graz, Austria, June 25-July 7, 1984

Papers are presented on the physics of the magnetosphere-ionosphere connection, with attention given to theory and modeling, auroras, plasma dynamics and irregularities, waves and electron beams, the dynamics of the thermosphere, and planetary plasmas. Plasma circulation in the magnetosphere is also discussed; consideration is given to observations of magnetospheric convection from low altitudes, the structure and properties of the earth's plasmasphere, and the circulation of energetic ions of terrestrial origin in the magnetosphere.

Schmerling, E. R.↗
NASA NTRS2015

The Structure, Anharmonic Vibrational Frequencies, and Intensities of NNHNN+

A semi-global potential energy surface (PES) and quartic force field (QFF) based on fitting high-level electronic structure energies are presented to describe the structures and spectroscopic properties of NNHNN+. The equilibrium structure of NNHNN+ is linear with the proton equidistant between the two nitrogen groups and thus of D(sub ∞h) symmetry. Vibrational second-order perturbation theory (VPT2) calculations based on the QFF fails to describe the proton “rattle” motion, i.e., the antisymmetric proton stretch, due to the very flat nature of PES around the global minimum, but performs properly for other modes with sharper potential wells. Vibrational self-consistent field/virtual state configuration interaction (VSCF/VCI) calculations using a version of MULTIMODE without angular momentum terms successfully describe this motion and predict the fundamental to be at 759 cm(exp -1). This is in good agreement with the value of 746 cm(exp -1) from a fixed-node diffusion Monte Carlo calculation and the experimental Ar-tagged result of 743 cm(exp -1). Other VSCF/VCI energies are in good agreement with other experimentally reported ones. Both double-harmonic intensity and rigorous MULTIMODE intensity calculations show the proton transfer fundamental has a very strong intensity.

Astrochemistry↗
NASA NTRS1988

Plasma contactors for use with electodynamic tethers for power generation

Plasma contactors are proposed as a means of making good electrical contact between biased surfaces such as found at the ends of an electrodynamic tether and the space environment. The plasma contactor emits a plasma cloud which facilitates the electrical connection. The physics of this plasma cloud is investigated for contactors used as electron collectors. The central question addressed is whether the electrons collected by a plasma contactor come from the far field or by ionization of local neutral gas. This question is important because the system implications are different for the two mechanisms. It is shown that contactor clouds in space will consist of a spherical core possibly containing a shock wave. Outside of the core the cloud will expand anisotropically across the magnetic field leading to a turbulent cigar shape structure along the field. This outer region is itself divided into two regions by the ion response to the electric field. A two-dimensional theory for the outer regions of the cloud is developed. The current voltage characteristic of an Argon plasma contactor cloud is estimated for several ion currents in the range of 1 to 100 Amperes. It is suggested that the major source of collected electrons comes by ionization of neutral gas while collection of electrons from the far field is relatively small.

Hastings, D. E.↗
NASA NTRS1998

Cross Sections for Electron Impact Excitation of Ions Relevant to Planetary Atmospheres Observation

The goal of this research grant was to calculate accurate oscillator strengths and electron collisional excitation strengths for inelastic transitions in atomic species of relevance to Planetary Atmospheres. Large scale configuration-interaction atomic structure calculations have been performed to obtain oscillator strengths and transition probabilities for transitions among the fine-structure levels and R-matrix method has been used in the calculations of electron-ion collision cross sections of C II, S I, S II, S III, and Ar II. A number of strong features due to ions of sulfur have been detected in the spectra of Jupiter satellite Io. The electron excitation cross sections for the C II and S II transitions are studied in collaboration with the experimental atomic physics group at the Jet Propulsion Laboratory. There is excellent agreement between experiment and theory which provide an accurate and broad-base test of the ability of theoretical methods used in the calculation of atomic processes. Specifically, research problems have been investigated for: electron impact excitation cross sections of C II: electron impact excitation cross sections of S III; energy levels and oscillator strengths for transitions in S III; collision strengths for electron collisional excitation of S II; electron impact excitation of inelastic transitions in Ar II; oscillator strengths of fine-structure transitions in neutral sulfur; cross sections for inelastic scattering of electrons from atomic nitrogen; and excitation of atomic ions by electron impact.

Tayal, Swaraj S.↗
NASA NTRS1983

Mirror instability and the origin of morningside auroral structure

Auroral optical imagery shows marked differences between auroral features of the evening and morning sectors: The separation between diffuse and discrete auroras in the evening sector is not distinct in the morning sector, which is dominated by auroral patches and multiple banded structures aligned along some direction. Plasma distribution function signatures also show marked differences: downward electron beams and inverted-V signatures prefer the evening sector, while the electron spectra on the morning sector are similar to the diffuse aurora. We have constructed a theory of morningside auroras consistent with these features. The theory is based on modulation of the growth rates of electron cyclotron waves by the mirror instability, which is in turn driven by inward-convected ions that have become anisotropic. This modulation produces alternating bands of enhanced and reduced electron precipitation which approximate the observed multiple auroral bands and patches of the morning sector.

Chiu, Y. T.↗
NASA NTRS1989

Iron-rich clay minerals on Mars - Potential sources or sinks for hydrogen and indicators of hydrogen loss over time

Although direct evidence is lacking, indirect evidence suggests that iron-rich clay minerals or poorly-ordered chemical equivalents are widespread on the Martian surface. Such clays can act as sources or sinks for hydrogen ('hydrogen sponges'). Ferrous clays can lose hydrogen and ferric clays gain it by the coupled substitution Fe(3+)O(Fe(2+)OH)-1, equivalent to minus atomic H. This 'oxy-clay' substitution involves only proton and electron migration through the crystal structure, and therefore occurs nondestructively and reversibly, at relatively low temperatures. The reversible, low-temperature nature of this reaction contrasts with the irreversible nature of destructive dehydroxylation (H2O loss) suffered by clays heated to high temperatures. In theory, metastable ferric oxy-clays formed by dehydrogenation of ferrous clays over geologic time could, if exposed to water vapor, extract the hydrogen from it, releasing oxygen.

Burt, D. M.↗
NASA NTRS1984

Statistical mechanics of light elements at high pressure. VI - Liquid-state calculations with Thomas-Fermi-Dirac theory

A model free energy is developed for hydrogen-helium mixtures based on solid-state Thomas-Fermi-Dirac calculations at pressures relevant to the interiors of giant planets. Using a model potential similar to that for a two-component plasma, effective charges for the nuclei (which are in general smaller than the actual charges because of screening effects) are parameterized, being constrained by calculations at a number of densities, compositions, and lattice structures. These model potentials are then used to compute the equilibrium properties of H-He fluids using a charged hard-sphere model. The results find critical temperatures of about 0 K, 500 K, and 1500 K, for pressures of 10, 100, and 1000 Mbar, respectively. These phase separation temperatures are considerably lower (approximately 6,000-10,000 K) than those found from calculations using free electron perturbation theory, and suggest that H-He solutions should be stable against phase separation in the metallic zones of Jupiter and Saturn.

Macfarlane, J. J.↗
NASA NTRS1987

Theory of resonant tunneling in a variably spaced multiquantum well structure - An Airy function approach

A theoretical study of resonant tunneling in multilayered heterostructures is presented based on an exact solution of the Schroedinger equation under the application of a constant electric field. By use of the transfer matrix approach, the transmissivity of the structure is determined as a function of the incident electron energy. The approach presented herein is easily extended to many layer structures where it is more accurate than other existing transfer matrix or Wentzel-Kramers-Brillouin (WKB) models. The transmission resonances are compared to the bound-state energies calculated for a finite square well under bias using either an asymmetric square-well model or the exact solution of an infinite square well under the application of an electric field. The results show good agreement with other existing models as well as with the bound-state energies. The calculations were then applied to a new superlattice structure, the variably spaced superlattice energy filter, which is designed such that under bias the spatial quantization levels fully align. Based on these calculations, a new class of resonant tunneling superlattice devices can be designed.

Brennan, K. F.↗
NASA NTRS1994

Relativistic particle acceleration in plerions

We discuss recent research on the structure and particle acceleration properties of relativistic shock waves in which the magnetic field is transverse to the flow direction in the upstream medium, and whose composition is either pure electrons and positrons or primarily electrons and positrons with an admixture of heavy ions. Particle-in-cell simulation techniques as well as analytic theory have been used to show that such shocks in pure pair plasmas are fully thermalized -- the downstream particle spectra are relativistic Maxwellians at the temperature expected from the jump conditions. On the other hand, shocks containing heavy ions which are a minority constituent by number but which carry most of the energy density in the upstream medium do put approximately 20% of the flow energy into a nonthermal population of pairs downstream, whose distribution in energy space is N(E) varies as E(exp -2), where N(E)dE is the number of particles with energy between E and E+dE. The mechanism of thermalization and particle acceleration is found to be synchrotron maser activity in the shock front, stimulated by the quasi-coherent gyration of the whole particle population as the plasma flowing into the shock reflects from the magnetic field in the shock front. The synchrotron maser modes radiated by the heavy ions are absorbed by the pairs at their (relativistic) cyclotron frequencies, allowing the maximum energy achievable by the pairs to be gamma(sub +/-)m(sub +/-)c squared = m(sub i)c squared gamma(sub 1)/Z(sub i), where gamma(sub 1) is the Lorentz factor of the upstream flow and Z(sub i) is the atomic number of the ions. The shock's spatial structure is shown to contain a series of 'overshoots' in the magnetic field, regions where the gyrating heavy ions compress the magnetic field to levels in excess of the eventual downstream value. This shock model is applied to an interpretation of the structure of the inner regions of the Crab Nebula, in particular to the 'wisps,' surface brightness enhancements near the pulsar. We argue that these surface brightness enhancements are the regions of magnetic overshoot, which appear brighter because the small Larmor radius pairs are compressed and radiate more efficiently in the regions of more intense magnetic field. This interpretation suggests that the structure of the shock terminating the pulsar's wind in the Crab Nebula is spatially resolved, and allows one to measure gamma(sub 1) and a number of other properties of the pulsar's wind. We also discuss applications of the shock theory to the termination shocks of the winds from rotation-powered pulsars embedded in compact binaries. We show that this model adequately accounts for (and indeed predicted) the recently discovered X-ray flux from PSR 1957+20, and we discuss several other applications to other examples of these systems.

Arons, Jonathan↗
NASA NTRS1971

Turbulent resistivity, diffusion and heating

Experimental and theoretical studies are reported on ion acoustic and ion cyclotron turbulence and their roles in anomalous resistivity, viscosity, diffusion and heating and in the structure of collisionless electrostatic shocks. Resistance due to ion acoustic turbulence has been observed in experiments with a streaming cesium plasma in which electron current, potential rise due to turbulent resistivity, spectrum of unstable ion acoustic waves, and associated electron heating were all measured directly. Kinetic theory calculations for an expanding, unstable plasma, give results in agreement with the experiment. In a strong magnetic field, with T sub e/T sub i approximately 1 and current densities typical for present Tokomaks, the plasma is stable to ion acoustic but unstable to current driven electrostatic ion cyclotron waves. Relevant characteristics of these waves are calculated and it is shown that for ion, beta greater than m sub e/m sub i, the electromagnetic ion cyclotron wave has a lower instability threshold than the electrostatic one. However, when ion acoustic turbulence is present experiments with double plasma devices show rapid anomalous heating of an ion beam streaming through a plasma.

Fried, B. D.↗
NASA NTRS1975

Widths of atomic 4s and 4p vacancy states, 46 less than or equal to Z less than or equal to 50

Auger and X-ray photoelectron spectra involving N1, N2, and N3 vacancy states of Pd, Ag, Cd, In, and Sn were measured and compared with results of free atom calculations. As previously observed in Cu and Zn Auger spectra that involve 3d-band electrons, free-atom characteristics with regard to widths and structure were found in the Ag and Cd M4-N4,5N4,5 and M5-N4,5N4,5 Auger spectra that arise from transitions of 4d-band electrons. Theoretical N1 widths computed with calculated free-atom Auger energies agree well with measurements. Theory however predicts wider N2 than N3 vacancy states (as observed for Xe), while the measured N2 and N3 widths are nearly equal to each other and to the average of the calculated N2 and N3 widths. The calculations are made difficult by the exceedingly short lifetime of some 4p vacancies and by the extreme sensitivity of super-Coster-Kronig rates, which dominate the deexcitation, to the transition energy and to the fine details of the atomic potential.

Hsiungchen, M.↗
NASA NTRS1992

New approach to the design of Schottky barrier diodes for THz mixers

Near-ideal GaAs Schottky barrier diodes especially designed for mixing applications in the THz frequency range are presented. A diode fabrication process for submicron diodes with near-ideal electrical and noise characteristics is described. This process is based on the electrolytic pulse etching of GaAs in combination with an in-situ platinum plating for the formation of the Schottky contacts. Schottky barrier diodes with a diameter of 1 micron fabricated by the process have already shown excellent results in a 650 GHz waveguide mixer at room temperature. A conversion loss of 7.5 dB and a mixer noise temperature of less than 2000 K have been obtained at an intermediate frequency of 4 GHz. The optimization of the diode structure and the technology was possible due to the development of a generalized Schottky barrier diode model which is valid also at high current densities. The common diode design and optimization is discussed on the basis of the classical theory. However, the conventional fomulas are valid only in a limited forward bias range corresponding to currents much smaller than the operating currents under submillimeter mixing conditions. The generalized new model takes into account not only the phenomena occurring at the junction such as current dependent recombination and drift/diffusion velocities, but also mobility and electron temperature variations in the undepleted epi-layer. Calculated diode I/V and noise characteristics are in excellent agreement with the measured values. Thus, the model offers the possibility of optimizing the diode structure and predicting the diode performance under mixing conditions at THz frequencies.

Jelenski, A.↗
NASA NTRS1976

Scattering by spheres with nonisotropic refractive indices

Experimental scattering results using a microwave analog technique are described. Artificially constructed axially symmetric spheres with a graphite-like fine-layered composite structure and anisotropic refractive indices were employed to aid high-precision measurements of forward scattering under stable conditions (temperature, physical dimensions, electronic conditions) and to facilitate studies of the extinction and polarization of light by graphite particles in interstellar space. A theoretical approximation utilizing Mie theory for spheres with suitable orientation-dependent refractive indices is applied to account for changes in the complex forward-scattering amplitudes and phase in response to target orientation. The methods are extended to the full range of scattering angles, from the forward direction continuously to about 165 deg and at 180 deg. Agreement between experiment and prediction is close when the symmetry axis is parallel to the polarization.

Wang, R. T.↗