SEARCH · Engineering Papers

Results for “electronic structure theory”

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.

SourceResearch connectionFrom yearThrough year

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

At least 145 records · Page 8

All sources NASA NTRS DOE OSTI

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.↗

NASA NTRS1986

Very high Mach number shocks - Theory

The theory and simulation of collisionless perpendicular supercritical shock structure is reviewed, with major emphasis on recent research results. The primary tool of investigation is the hybrid simulation method, in which the Newtonian orbits of a large number of ion macroparticles are followed numerically, and in which the electrons are treated as a charge neutralizing fluid. The principal results include the following: (1) electron resistivity is not required to explain the observed quasi-stationarity of the earth's bow shock, (2) the structure of the perpendicular shock at very high Mach numbers depends sensitively on the upstream value of beta (the ratio of the thermal to magnetic pressure) and electron resistivity, (3) two-dimensional turbulence will become increasingly important as the Mach number is increased, and (4) nonadiabatic bulk electron heating will result when a thermal electron cannot complete a gyrorbit while transiting the shock.

Quest, Kevin B.↗

NASA NTRS1994

Laboratory spectra of C60 and related molecular structures

The electronic spectra of fullerene structures in high frequency discharge are studied in the plasma chemistry laboratory of the Faculty of Science of Masaryk University in Brno. The ultraviolet and visual spectra are investigated in order to be compared with the diffuse interstellar bands and interpreted within the theory of quantum mechanics. The preliminary results of the study are presented here in the form of a poster.

Janca, J.↗

NASA NTRS1992

An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2

Quantum mechanical computational methods are employed for an ab initio investigation of: (1) the molecular properties of the lowest isomers of the ClO dimer; and (2) predicted molecular and thermochemical properties. Techniques employed include electron correlation and particularly singles and doubles coupled-cluster (CCSD) theory with or without perturbational estimates of the effects of connected triple excitations. The isomers ClOClO and ClClO2 are found to have higher energies than the ClOOCl isomer, and the theoretical vibrational frequencies of the isomers are well correlated with experimental data. Experimental values of the heat of formation for the isomers are also compared with calculations based on an isodesmic reaction with Cl2O, H2O, and HOOH.

Lee, Timothy J.↗

NASA NTRS1981

Effects of auroral-particle anisotropies and mirror forces on high-latitude electric fields

It is noted that, for most of the mechanisms for the strong electric fields that characterize the narrow regions in which there is acceleration and precipitation of ring current and/or plasma-sheet plasma, certain effects must be taken into account in simulations of auroral electric fields. The effects are those of auroral particle anisotropy, of mirror forces due to the inhomogeneous geomagnetic field, of auroral electron backscatter by the atmosphere, and of electron trapping by the combination of magnetic mirroring and electrostatic forces. What is more, the effects of the very strong perpendicular electric field must also be taken into account in a kinetic description of the Poisson equation in order to achieve a unified theory of the auroral electrostatic structure. Progress in these areas during the past few years is reviewed. It is shown that particle anisotropies and mirror forces can account for some basic electrostatic features of the quiet arc, while additional effects may be occurring in strong events in which the parallel potential drop is more than about 10 kV.

Chiu, Y. T.↗

NASA NTRS1994

Langmuir turbulence in the auroral ionosphere 2: Nonlinear theory and simulations

A theoretical interpretation of sounding rocket measurements of intense Langmuir wave fields (less than or equal to 500 mV/m) driven by a stream of 20 eV to 4 keV electrons in the lower auroral zone is developed. This interpretation is based on the ability of the 10 microseconds sampling rate of the wave detector to temporally resolve the structure of the Langmuir wave field envelope. A modified form of the Zakharov equations is used to numerically study beam-driven Langmuir turbulence in the presence of a moderate magnetic field (OMEGA (sub e) approximately equals Omega (sub pe). Strong Landau damping on observed nonthermal scattered electrons, which is treated in a companion paper (Newman et al., this issue), plays an important role by inhibiting backscatter cascade and the development of strong turbulence. A parameterized model of the linear electron stream-driven wave instability is introduced, which incorporates limited quasilinear plateau formation. A reasonable set of parameters is found that yields semiquantitative agreement between observed properties of the Langmuir fields and the results of Zakharov equation simulations, including the amplitude and characteristic frequency of the electric field envelope modulations.

Newman, D. L.↗

NASA NTRS1993

Guidelines for Design and Analysis of Large, Brittle Spacecraft Components

There were two related parts to this work. The first, conducted at The Aerospace Corporation was to develop and define methods for integrating the statistical theory of brittle strength with conventional finite element stress analysis, and to carry out a limited laboratory test program to illustrate the methods. The second part, separately funded at Aerojet Electronic Systems Division, was to create the finite element postprocessing program for integrating the statistical strength analysis with the structural analysis. The second part was monitored by Capt. Jeff McCann of USAF/SMC, as Special Study No.11, which authorized Aerojet to support Aerospace on this work requested by NASA. This second part is documented in Appendix A. The activity at Aerojet was guided by the Aerospace methods developed in the first part of this work. This joint work of Aerospace and Aerojet stemmed from prior related work for the Defense Support Program (DSP) Program Office, to qualify the DSP sensor main mirror and corrector lens for flight as part of a shuttle payload. These large brittle components of the DSP sensor are provided by Aerojet. This document defines rational methods for addressing the structural integrity and safety of large, brittle, payload components, which have low and variable tensile strength and can suddenly break or shatter. The methods are applicable to the evaluation and validation of such components, which, because of size and configuration restrictions, cannot be validated by direct proof test.

Robinson, E. Y.↗

NASA NTRS2003

Many-Body Effects in Quantum-Well Intersubband Transitions

Intersubband polarization couples to collective excitations of the interacting electron gas confined in a semiconductor quantum well (Qw) structure. Such excitations include correlated pair excitations (repellons) and intersubband plasmons (ISPs). The oscillator strength of intersubband transitions (ISBTs) strongly varies with QW parameters and electron density because of this coupling. We have developed a set of kinetic equations, termed the intersubband semiconductor Bloch equations (ISBEs), from density matrix theory with the Hartree-Fock approximation, that enables a consistent description of these many-body effects. Using the ISBEs for a two-conduction-subband model, various many-body effects in intersubband transitions are studied in this work. We find interesting spectral changes of intersubband absorption coefficient due to interplay of the Fermi-edge singularity, subband renormalization, intersubband plasmon oscillation, and nonparabolicity of bandstructure. Our results uncover a new perspective for ISBTs and indicate the necessity of proper many-body theoretical treatment in order for modeling and prediction of ISBT line shape.

Li, Jian-Zhong↗

NASA NTRS1997

Physics of Rotation Powered Pulsars and Their Nebulae

This letter is my progress report for the Astrophysics Theory grant. The first goal of the research supported by this grant is to produce a time dependent theory of the unsteady relativistic collisionless shock wave terminating the relativistic wind from a pulsar, and compare the predicted surface brightness fluctuations to Hubble Space Telescope observations of the wisps in the Crab Nebula. The second goal is to model the production of electron-positron pairs over the polar caps of rotation powered pulsars, and use the results to predict the heating of the surface due to particle trapping and bombardment of the atmosphere at the base of the polar field lines. We have succeeded in creating a one dimensional hybrid code, in which the electron-positron pairs incident on the shock structure are modeled as a relativistic, adiabatic, ideal MHD fluid, while the heavy ions are treated as particles using a particle-in-cell algorithm. The electromagnetic fields are evaluated from the currents and charge densities in the pairs and the ions, while the particles and the fluid accelerate in response to the computed self-consistent electromagnetic fields. The results are promising, in that the underlying ion cyclotron instability generates finite amplitude, propagating magnetosonic waves in the pairs, whose wavelengths and frequencies, when translated into physical units, are comparable to the observed running waves of brightness observed by HST near the Crab pulsar. The code is undergoing a number of tests, to assure us that this preliminary correspondence is not an artifact. In the coming year, the observational appearance of the models will be computed and compared to the HST observations of the Crab now in hand, and used to predict the HST results which will be obtained the year after next. WE also developed a one dimensional cascade theory for pair creation over pulsars' polar caps. A linear integral equation describing the synchrotron cascade has been derived and solved by iterative techniques, in the case when a high energy electron moving parallel to a star centered dipole magnetic field initiates the cascade through curvature gamma ray emission.

Arons, Jonathan↗

NASA NTRS1972

Transport properties of liquid metal hydrogen under high pressures

A theory is developed for the compressibility and transport properties of liquid metallic hydrogen, near to its melting point and under high pressure. The interionic force law is assumed to be of the screened Coulomb type, because hydrogen has no core electrons. The random phase approximation is used to obtain the structure factor S(k) of the system in terms of the Fourier transform of this force law. The long wavelenth limit of the structure factor S(o) is related to the compressibility, which is much lower than that of alkali metals at their melting points. The diffusion constant at the melting point is obtained in terms of the Debye frequency, using a frequency spectrum analogous with the phonon spectrum of a solid. A similar argument is used to obtain the combined shear and bulk viscosities, but these depend also on S(o). The transport coefficients are found to be about the same size as those of alkali metals at their melting points.

Brown, R. C.↗

NASA NTRS1999

Corrugated Quantum Well Infrared Photodetectors and Arrays

Quantum well infrared photodetectors (QWIPs) have many advantages in infrared detection, mainly due to the mature Ill-V material technology. The employment of the corrugation structure further advances the technology by providing a simple, yet efficient light-coupling scheme. A C-QWIP enjoys the same flexibility as a detector with intrinsic normal incident absorption. In this paper, we will discuss the utilities of C-QWIPs in different applications, including two-color detection and polarization-sensitive detection. Besides practical applications, C-QWIPs are also useful in detector characterization. They can be used for measuring the absorption coefficient of light propagating parallel to the layers under bias and providing information on the energy resolved photoconductive gain. These two quantities have never been measured before. Based on the corrugation design, we have made several modifications that further improve the detector sensitivity without increasing its complexity. Other than the C-QWIP structure, we also continue searching for other sensitive detector architectures. In a quantum grid infrared photodetector, 3-dimensional electron confinement can be achieved, with which the detector is able to absorb light in all directions. At the same time, the photoconductive gain can also be improved. We further improve the design using a blazed structure. All the experimental results are supported by a rigorous electromagnetic modal transmission-line theory developed especially for these types of structures. Preliminary thermal imaging using C-QWIP FPAs validates the advantages of the present approach.

Choi, K. K.↗

NASA NTRS1983

The structure and emission spectrum of a nonradiative shock wave in the Cygnus Loop

The ultraviolet spectrum of a Balmer-line filament located just outside the main body of optical filaments in the Cygnus Loop confirms the nonradiative shock wave theory for its origin. This theory is extended to include the hydrogen two-photon continuum, and the possibility of slow electron-ion equilibration in the postshock gas is considered. The shock velocity is inferred from the H-alpha profile. Comparison of model calculations with optical and ultraviolet spectra favors Coulomb equilibration behind a 170 km/s shock over models with rapid equilibration due to plasma turbulence. Elemental abundances in the preshock gas are found to be typical of diffuse interstellar clouds. The ram pressure behind the shock is higher than the pressures inferred for bright optical filaments. It is suggested that the bright optical filaments are regions of thermally unstable cooling behind shocks faster than the shock velocities inferred from their optical and ultraviolet spectra.

Raymond, J. C.↗

NASA NTRS1984

Energetics of the protonation of CO - Implications for the observation of HOC(+) in dense interstellar clouds

A number of molecular species on the H3CO(+) energy hypersurface is examined. Ab initio molecular orbital theory is used to determine the structures and relative energetics of the two isomers of HCO(+) and HOC(+) together with the affinity of CO for protonation at either end. The proton affinities of H2 and H2CO are also examined. The calculations are performed using large basis sets and include the effects of electron correlation. The calculated vibrational frequencies are used to correct for zero point energy differences. The results show that the proton affinities of H2 and CO to form HOC(+) are within 1 kcal of each other. The calculations demonstrate that there is no thermodynamic driving force to form HOC(+) in collisions of H3(+) with CO, and that the formation of HCO(+) in such collisions is very exoergic. A plausible mechanism is suggested to explain the differences observed between the laboratory and the interstellar medium.

Dixon, D.↗

NASA NTRS1989

Structure of slow magnetosonic shocks in low beta plasmas

Slow magnetosonic shocks are an efficient way in which magnetic energy in a collisionless plasma is converted into particle flow and thermal energy. Previous analytic and simulation studies of slow shocks have suggested that their structure consists of a damped wavetrain beginning at the shock transition and extending into the downstream region. Spacecraft observations in the solar wind and the earth's magnetotail have found structures that resemble slow shocks except that most of them do not possess a trailing wavetrain. To resolve the conflict between theory and observations of slow shocks, new simulations have been performed which correct some of the previous results and show that depending on the sonic Mach number and the ratio of electron to ion temperature, slow shocks may or may not possess a wavetrain.

Omidi, N.↗

NASA NTRS1974

Formation of ion-acoustic shocks

The formation of an ion-acoustic shock in a numerically modeled two-chamber double plasma device is investigated for a plasma of cold ions and isothermal Boltzmann electrons. An initial potential ramp applied to the driver chamber launches an ion-acoustic pulse into the target chamber which steepens into a shock. The quasi-steady shock structure agrees with observed double plasma shocks. An upper limit of Mach 1.6 is observed independent of the potential ramp magnitude, in agreement with theory.

White, R. B.↗

NASA NTRS1993

Fine structure of Langmuir waves produced by a solar electron event

Observations of highly structured bursts of Langmuir waves produced by energetic electrons ejected from a solar flare using wideband plasma wave measurements on the Galileo spacecraft are reported. Attention is given to the solar flare that occurred on December 10, 1990, while the spacecraft was at a radial distance of 0.98 AU from the sun. This flare emitted a stream of energetic electrons and an associated type III radio event, both of which were detected by Galileo. A large number of intense Langmuir wave bursts were detected near the local electron plasma frequency, which was about 25 kHz. The bursts, which lasted about 1.5 hr, coincided with the arrival of the solar electrons. The bursts are highly structured and consist mainly of isolated wave packets with durations as short as 1 ms and beat-type waveforms with beat frequencies ranging from 200 to 500 Hz. The highly structured envelopes of these waves are strongly suggestive of nonlinear parametric decay processes such as those predicted by various theories dealing with the saturation of beam-driven electrostatic instabilities.

Gurnett, D. A.↗

NASA NTRS1973

Performance of epitaxial back surface field cells

Epitaxial back surface field structures were formed by depositing a 10 micron thick 10 Omega-cm epitaxial silicon layer onto substrates with resistivities of 0.01, 0.1, 1.0 and 10 Omega-cm. A correlation between cell open-circuit voltage and substrate resistivity was observed and was compared to theory. The cells were also irradiated with 1 MeV electrons to a fluence of 5 X 10 to the 15th power e/cm2. The decrease of cell open-circuit voltage was in excellent agreement with theoretical predictions and the measured short circuit currents were within 2% of the prediction. Calculations are presented of optimum cell performance as functions of epitaxial layer thickness, radiation fluence and substrate diffusion length.

Brandhorst, H. W., Jr.↗

NASA NTRS1974

Performance of epitaxial back surface field cells

Epitaxial back surface field structures were formed by depositing a 10 micron thick 10 ohm-cm epitaxial silicon layer onto substrates with resistivities of 0.01, 0.1, 1.0 and 10 ohm-cm. A correlation between cell open-circuit voltage and substrate resistivity was observed and was compared to theory. The cells were also irradiated with 1-MeV electrons to a fluence of 5 times 10 to the 15th electrons per sq cm. The decrease of cell open-circuit voltage was in excellent agreement with theoretical predictions and the measured short-circuit currents were within 2% of the prediction. Calculations are presented for optimum cell performance as functions of epitaxial layer thickness, radiation fluence, and substrate diffusion length.

Brandhorst, H. W., Jr.↗