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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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NASA NTRS2011

Highly Accurate Quartic Force Fields, Vibrational Frequencies, and Spectroscopic Constants for Cyclic and Linear C3H3(+)

High levels of theory have been used to compute quartic force fields (QFFs) for the cyclic and linear forms of the C H + molecular cation, referred to as c-C H + and I-C H +. Specifically the 33 3333 singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, CCSD(T), has been used in conjunction with extrapolation to the one-particle basis set limit and corrections for scalar relativity and core correlation have been included. The QFFs have been used to compute highly accurate fundamental vibrational frequencies and other spectroscopic constants using both vibrational 2nd-order perturbation theory and variational methods to solve the nuclear Schroedinger equation. Agreement between our best computed fundamental vibrational frequencies and recent infrared photodissociation experiments is reasonable for most bands, but there are a few exceptions. Possible sources for the discrepancies are discussed. We determine the energy difference between the cyclic and linear forms of C H +, 33 obtaining 27.9 kcal/mol at 0 K, which should be the most reliable available. It is expected that the fundamental vibrational frequencies and spectroscopic constants presented here for c-C H + 33 and I-C H + are the most reliable available for the free gas-phase species and it is hoped that 33 these will be useful in the assignment of future high-resolution laboratory experiments or astronomical observations.

Huang, Xinchuan↗
NASA NTRS2011

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.

Lawson, John W.↗
NASA NTRS1998

Line Narrowing Parameter Measurement by Modulation Spectroscopy

Accurate Characterization of Oxygen A-Band Line Parameters by Wavelength Modulation Spectroscopy with tunable diode lasers is an ongoing research at Old Dominion University, under sponsorship from NASA Langley research Center. The work proposed here will be undertaken under the guidance of Dr. William Chu and Dr. Lamont Poole of the Aerosol Research Branch at NASA Langley-Research Center in Hampton, Virginia. The research was started about two years ago and utilizes wavelength modulation absorption spectroscopy with higher harmonic detection, a technique that we developed at Old Dominion University, to obtain the absorption line characteristics of the Oxygen A-band rovibronic lines. Accurate characterization of this absorption band is needed for processing of data that will be obtained in experiments such as the NASA Stratospheric Aerosol and Gas Experiment III (SAGE III) as part of the US Mission to Planet Earth. The research work for Summer Fellowship undertook a measurement of the Dicke line-narrowing parameters of the Oxygen A-Band lines by using wavelength modulation spectroscopy. Our previous theoretical results had indicated that such a measurement could be done sensitively and in a convenient fashion by using this type of spectroscopy. In particular, theoretical results had indicated that the signal magnitude would depend on pressure in a manner that was very sensitive to the narrowing parameter. One of the major tasks undertaken during the summer of 1998 was to establish experimentally that these theoretical predictions were correct. This was done successfully and the results of the work are being prepared for publication. Experimental Results were obtained in which the magnitude of the signal was measured as a function of pressure, for various harmonic detection orders (N = 1, 2, 3, 4, 5). A comparison with theoretical results was made, and it was shown that the agreement between theory and experiment was very good. More importantly, however, it was shown that the measurement was yielded a very sensitive technique for obtaining the narrowing parameter that describes the deviation of Oxygen A-band lines from the Voigt profile. In particular, it was seen that the best fits were obtained consistently when the narrowing parameter value used was 0.022 1/cm, 1/Atm, Previous work, upon which the current work was based has resulted in several accurate measurements of properties of particular lines of the Oxygen A band. For example, this work has resulted in the measurement of the collision cross sections of several lines including the RQ(13,14) and the RR(15,15) lines. A major achievement of achievement of the work was also the demonstration that the technique we have developed can accurately probe the structure of the absorption lineshape function. In particular, the method we have developed is very well suited for experimentally probing the characteristics of lines in their wings. This work was accepted for publication in the Journal of Applied Physics, and is scheduled to appear in the December 15, 1998 issue.

Dharamsi, Amin N.↗
NASA NTRS1987

Mesoscale lake-effect snowstorms in the vicinity of Lake Michigan - Linear theory and numerical simulations

Mesoscale lake-effect snowstorms in the vicinity of Lake Michigan are studied by a linear steady-state analytic model and a nonlinear time-dependent numerical model with parameterized subgrid-scale physics. The solutions of the linear model show that the orientation of the mean wind field to the surface heating pattern is crucial to the shapes of the disturbances. The results indicate that the relative warmth of the lake surface can induce three updraft centers under a westerly wind, two updraft centers/bands under a northwesterly wind, and a convergence band under a northerly wind. Such convergences are caused by the interaction between the mean wind and the local circulations forced by the curved thermal contrasts. The numerical results from the nonlinear model not only produce convergence patterns very similar to those found in the linear theory and in other numerical studies, but also capture the transient property in some of the lake-induced disturbances. All of these results are qualitatively confirmed by satellite images.

Hsu, Hsiao-Ming↗
NASA NTRS1976

Semiempirical airframe noise prediction model and evaluation with flight data

A semiempirical maximum overall sound pressure level (OASPL) airframe noise model was derived. Noise radiated from aircraft wings was modeled on the trailing edge diffractes quadrupole sound theory. The acoustic dipole sound theory was used to model noise from the landing gear. The model was correlated with maximum OASPL flyover noise measurements obtained for three jet aircraft. One third octave band sound pressure level flyover data was correlated and interpreted.

Hersh, A. S.↗
NASA NTRS1983

Martian great dust storms - Interpretive axially symmetric models

The Martian great dust storms are presently considered in light of the Schneider (1977) simplified theory of steady, nearly inviscid, thermally forced and axially symmetric atmospheric motions. A highly idealized calculation of atmospheric response to heating that is concentrated in a small latitude band is conducted, leading to the identification of qualitatively different local and global response regimes. Idealized model results indicate that subtropical latitudes are favored for the initiation of a dust-raising global dust storm. The steady, axially symmetric Martian response to solar forcing and modification to this response through an additional, latitudinally localized heat source are also discussed, and it is suggested that transition behavior similar to that of the more idealized model is to be expected in this case as well.

Schneider, E. K.↗
NASA NTRS1984

The dependence of reflectance spectra of Mercury on surface terrain

Reflectance spectra of Mercury covering the spectral range of 0.3-1.1 micron, obtained during 1963-1976, were examined for any correlations with surface terrain. Mercury's 6.1385-deg/day rotational rate, the phases of the planet around maximum elongations, and bidirectional-reflectance-spectroscopy theory were used to identify the surface area associated with each spectrum. Data from 1974-1975, rereduced with improved standard-star-flux ratios, show a weak absorption band in the near infrared not seen in earlier analyses. Older spectra suggest that the western longitudes of the unimaged side of Mercury are similar to the rest of the planet. Spectra of the intercrater plains in the 0-90-deg quadrant suggest a possible absorption band. Spectra of areas dominated by Caloris Basin with the encompassing smooth plains may show Fe(2+) abundances in the soil comparable to lunar-highlands soil. No striking differences between spectra of intercrater plains and smooth plains are found. The absorption features seen in spectra of Mercury are generally weaker than features seen in lunar spectra.

Vilas, F.↗
NASA NTRS1987

Ground-state properties of the periodic Anderson model

The ground-state energy, hybridization matrix element, local moment, and spin-density correlations of a one-dimensional, finite-chain, periodic, symmetric Anderson model are obtained by numerical simulations and compared with perturbation theory and strong-coupling results. It is found that the local f-electron spins are compensated by correlation with other f-electrons as well as band electrons leading to a nonmagnetic ground state.

Blankenbecler, R.↗
NASA NTRS2003

Coherent Effects in Tiny Optics: Tunneling Through the Looking Glass

I will discuss two types of one-dimensional photonic bandgap (PBG) effects that can arise in systems of coupled spherical resonators: (1) nearly-free-photon Fabry-Perot photonic bands that arise in quarter-wave concentrically stratified spheres and, (2) tight- binding photonic bands that arise in weakly-coupled mutually-resonant spheres as a result of whispering-gallery mode splitting. These effects can be derived directly from Mie theory, in a more straightforward manner, by exploiting an analogy with stratified planar systems. For odd numbers of mutually-resonant lossless coupled ring resonators, the circulating intensity can increase exponentially with the number of resonators, which can potentially be exploited for the development of advanced sensors. For even numbers of resonators, mode splitting and classical destructive interference lead to a cancellation of absorption and slow light on-resonance, reminiscent of electromagnetic induced transparency. The analogy between these coherent photon trapping effects and population trapping in an atomic system will be explored.

Smith, David D.↗
NASA NTRS1992

Going through a quantum phase

Phase measurements on a single-mode radiation field are examined from a system-theoretic viewpoint. Quantum estimation theory is used to establish the primacy of the Susskind-Glogower (SG) phase operator; its phase eigenkets generate the probability operator measure (POM) for maximum likelihood phase estimation. A commuting observables description for the SG-POM on a signal x apparatus state space is derived. It is analogous to the signal-band x image-band formulation for optical heterodyne detection. Because heterodyning realizes the annihilation operator POM, this analogy may help realize the SG-POM. The wave function representation associated with the SG POM is then used to prove the duality between the phase measurement and the number operator measurement, from which a number-phase uncertainty principle is obtained, via Fourier theory, without recourse to linearization. Fourier theory is also employed to establish the principle of number-ket causality, leading to a Paley-Wiener condition that must be satisfied by the phase-measurement probability density function (PDF) for a single-mode field in an arbitrary quantum state. Finally, a two-mode phase measurement is shown to afford phase-conjugate quantum communication at zero error probability with finite average photon number. Application of this construct to interferometric precision measurements is briefly discussed.

Shapiro, Jeffrey H.↗
NASA NTRS1999

Fourier Transform Ultraviolet Spectroscopy of the A Pi-2(3/2) Direct Current X Pi-2(3/2) Transition of BrO

The first spectra of the A (2)Pi(sub 3/2) from X (2)Pi(sub 3/2) electronic transition of BrO using Fourier transform ultraviolet spectroscopy are obtained. Broadband vibrational spectra acquired at 298 +/- 2 K and 228 +/- 5 K, as well as high-resolution rotational spectra of the A from X 7,0 and 12,0 vibrational bands are presented. Wavenumber positions for the spectra are obtained with high accuracy, and cross section assignments are made, incorporating the existing literature. With 35 cm(exp -1) (0.40 nm) resolution the absolute cross section at the peak of the 7,0 band is determined to be (1.58 +/- 0.12) x 10(exp -17) sq cm/molecule at 298 +/- 2 K and (1.97 +/- 0.15) x 10(exp -17) sq cm/molecule at 228 +/- 5 K. BrO dissociation energies are determined with a graphical Birge-Sponer technique, using Le Roy-Bernstein theory to place an upper limit on the extrapolation. From the ground-state dissociation energy, D(sub o)" = 231.0 +/- 1.7 kJ/mol, the heat of formation of BrO(g) is calculated, del(sub f)H(0 K) = 133.7 +/- 1.7 kJ/mol and del(sub f)H(298.15 K) = 126.2 +/- 1.7 kJ/mol. Cross sections for the high-resolution 7,0 and 12,0 rotational peaks are the first to be reported. The band structures are modeled, and improved band origins, rotational constants, centrifugal distortion constants, and linewidths are determined. In particular, J-dependent linewidths and lifetimes are observed for the both the 7,0 and 12,0 bands.

Wilmouth, David M.↗
NASA NTRS1980

The software system development for the TAMU real-time fan beam scatterometer data processors

A software package was designed and written to process in real-time any one quadrature channel pair of radar scatterometer signals form the NASA L- or C-Band radar scatterometer systems. The software was successfully tested in the C-Band processor breadboard hardware using recorded radar and NERDAS (NASA Earth Resources Data Annotation System) signals as the input data sources. The processor development program and the overall processor theory of operation and design are described. The real-time processor software system is documented and the results of the laboratory software tests, and recommendations for the efficient application of the data processing capabilities are presented.

Clark, B. V.↗
NASA NTRS1994

(abstract) Spacecraft Doppler Tracking with the Deep Space Network in the Search for Gravitational Waves

The Deep Space Network generates accurate radio science data observables for investigators who use radio links between spacecraft and the Earth to examine small changes in the phase and/or amplitude of the signal to study a wide variety of structures and phenomena in space. Several such studies are directed at aspects of the theory of general relativity such as gravitational redshift and gravitational waves. A gravitational wave is a propagating, polarized gravitational field, a ripple in the curvature of space-time. In Einstein's theory of general relativity, the waves are propagating solutions of the Einstein field equations. Their amplitudes are dimensionless strain amplitudes that change the fractional difference in distance between test masses and the rates at which separated clocks keep time. Predicted by all relativistic theories of gravity, they are extremely weak (the ratio of gravitational forces to electrical forces is about 10(sup -40)) and are generated at detectable levels only by astrophysical sources - very massive sources under violent dynamical conditions. The waves have never been detected but searches in the low-frequency band using Doppler tracking of many spacecraft have been conducted and others are being planned. Upper limits have been placed on the gravitational wave strength with the best sensitivities to date are for periodic waves being 7 x 10(sup -15).

gravitational waves theory of general relativity D↗
NASA NTRS1992

Atmospheric correction algorithm for NOAA-AVHRR products - Theory and application

The present evaluation of the effects of atmospheric constituents on NOAA AVHRR visible and near-IR data first gives attention to the general remote sensing equation and then addresses the magnitude of the atmospheric effects for AVHRR solar bands with respect to their impact on the normalized difference vegetation index (NDVI) and the surface bidirectional reflectance. Possible approaches to the acquisition of atmospheric data are then considered, and examples of atmospheric correction of surface reflectance and NDVI are discussed. The correction of the aerosol effect is essential in the case of NDVI study of densely vegetated areas.

Tanre, Didier↗
NASA NTRS1975

Interstellar clouds containing optically thin H2

The theory of Black and Delgarno that the relative populations of the excited rotational levels of H2 can be understood in terms of cascading following absorption in the Lyman and Werner bands is employed to infer the gas densities and radiation fields within diffuse interstellar clouds containing H2 that is optically thin in those bands. The procedure is described for computing the populations of the different rotation levels, the relative distribution among the different rotation levels of newly formed H2 is determined on the basis of five simplified models, and the rate of H2 formation is estimated. The results are applied to delta Ori, two components of iota Ori, the second components of rho Leo and zeta Ori, tau Sco, gamma Vel, and zeta Pup. The inferred parameters are summarized for each cloud.

Jura, M.↗
NASA NTRS1979

Planetary waves and Sun-weather effects

A brief outline about the theory of planetary waves is given and a review of space-time analysis, mainly at the 500 mbar pressure level, is presented. This analysis gives evidence that broad spectral bands of two types of waves exist within the troposphere: ultralong waves with zonal wave numbers M or approximately equal to 4 and periods tau or approximately equal to 5 days, propagating mainly to the west, and synoptic scale waves with M or approximately equal to 3 and tau or approximately equal to 10 days, propagating mainly to the east. These waves are generated by internal turbulent processes within the atmosphere and are quasi-persistent with lifetimes of several periods. It is shown that solar activity cannot generate planetary waves of significant amplitudes, and that the observed 'Sun-weather effects' can be interpreted within the framework of these internally generated planetary waves without any trigger mechanism from outside the atmosphere. It is suggested that a better knowledge of these persistent ultralong waves may help to improve long range weather forecasts.

Volland, H.↗
NASA NTRS1990

Possible second harmonic gyroemission at Uranus

During the inbound trajectory toward Uranus, the Planetary Radio Astronomy Instrument on board the Voyager 2 spacecraft observed narrow-band smooth (n-smooth) emission at frequencies centered near 60 kHz. By assuming models of the plasma density for the dayside magnetosphere of Uranus and by using cold plasma theory together with stringent observational constraints, ray-tracing calculations were performed to determine the source location and mode of the n-smooth emission. Ray-tracing calculations suggest that the n-smooth emission with sources near the magnetic equator may be fundamental X mode for certain conditions or second harmonic gyroemission. If the emission is second harmonic gyroemission, the fundamental emission at 30 kHz is expected but apparently not observed. These findings are discussed in the context of the most recent developments in the theory of the cyclotron maser instability.

Menietti, J. D.↗