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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Stoichiometric effects on the optical properties of LiInSe(2)

The diffuse reflectance of LiInSe(2) between 0.67 and 3.54 eV have been measured and the Kubelka-Munk theory was used to obtain the absorption coefficient from the data. The band gap in the samples is located at approximately 1.6 eV. The In and Se content of the samples was determined from atomic absorption measurements. Absorption peaks at 0.890 and 0.896 eV have been observed which are correlated, respectively, to the selenium and indium deficiencies in the samples.

Smith, Cecily J.↗
NASA NTRS2017

Relaxation Matrix for Symmetric Tops with Inversion Symmetry: Line Coupling and Line Mixing Effects on NH3 Lines in the V4 Band

Line shape parameters including the half-widths and the off-diagonal elements of the relaxation matrix have been calculated for self-broadened NH3 lines in the perpendicular v4 band. As in the pure rotational and the parallel v1 bands, the small inversion splitting in this band causes a complete failure of the isolated line approximation. As a result, one has to use formalisms not relying on this approximation. However, due to differences between parallel and perpendicular bands of NH3, the applicability of the formalism used in our previous studies of the v1 band and other parallel bands must be carefully verified. We have found that, as long as potential models only contain components with K1 equals K2 equals 0, whose matrix elements require the selection rule delta k equals 0, the formalism is applicable for the v4 band with some minor adjustments. Based on both theoretical considerations and results from numerical calculations, the non-diagonality of the relaxation matrices in all the PP, RP, PQ, RQ, PR, and RR branches is discussed. Theoretically calculated self-broadened half-widths are compared with measurements and the values listed in HITRAN 2012. With respect to line coupling effects, we have compared our calculated intra-doublet off-diagonal elements of the relaxation matrix with reliable measurements carried out in the PP branch where the spectral environment is favorable. The agreement is rather good since our results do well reproduce the observed k and j dependences of these elements, thus validating our formalism.

Absorption coefficient↗
NASA NTRS2006

Time-dependent Second Order Scattering Theory for Weather Radar with a Finite Beam Width

Multiple scattering effects from spherical water particles of uniform diameter are studied for a W-band pulsed radar. The Gaussian transverse beam-profile and the rectangular pulse-duration are used for calculation. An second-order analytical solution is derived for a single layer structure, based on a time-dependent radiative transfer theory as described in the authors' companion paper. When the range resolution is fixed, increase in footprint radius leads to increase in the second order reflectivity that is defined as the ratio of the second order return to the first order one. This feature becomes more serious as the range increases. Since the spaceborne millimeter-wavelength radar has a large footprint radius that is competitive to the mean free path, the multiple scattering effect must be taken into account for analysis.

mulitple scattering↗
NASA NTRS1984

Line strengths of N2O in the 1120-1440/cm region

Line strengths of N2O and its isotopic derivatives in the 1120-1440/cm region were measured at low pressure and high resolution (0.0054/cm). The band strength, rotationless dipole moment matrix elements, and F factor coefficients were considered. First-order nondegenerate perturbation theory was employed to derive explicit expressions for the rotationless dipole moment matrix elements and F factor coefficients. This made it possible to obtain general expressions for the F factor. The derived expressions were also applicable to CO2 bands.

Toth, R. A.↗
NASA NTRS1996

Theory of Spacecraft Doppler Tracking

We present a review of the spacecraft Doppler tracking technique used in broad band searches for gravitational waves in the millihertz frequency band.

spacecraft doppler doppler doppler tracking↗
NASA NTRS1978

Experimental investigation of outdoor propagation of finite-amplitude noise

The outdoor propagation of finite amplitude acoustic waves was investigated using a conventional electroacoustic transmitter which was mounted on the ground and pointed upward in order to avoid ground reflection effects. The propagation path was parallel to a radio tower 85 m tall, whose elevator carried the receiving microphone. The observations and conclusions are as follows: (1) At the higher source levels nonlinear propagation distortion caused a strong generation of high frequency noise over the propagation path. For example, at 70 m for a frequency 2-3 octaves above the source noise band, the measured noise was up to 30 dB higher than the linear theory prediction. (2) The generation occurred in both the nearfield and the farfield of the transmitter. (3) At no measurement point was small-signal behavior established for the high requency noise. Calculations support the contention that the nonlinearity generated high frequency noise never becomes small-signal in its behavior, regardless of distance. (4) When measured spectra are scaled in frequency and level to make them comparable with spectra of actual jet noise, they are found to be well within the jet noise range. It is therefore entirely possible that nonlinear distortion affects jet noise.

Webster, D. A.↗
NASA NTRS1978

The ammonia mixing ratio in Jupiter's stratosphere

The paper describes the theory that underlies the model calculations which show that the far-infrared bands of ammonia are very sensitive to the ammonia distribution above the Jovian atmospheric inversion layer. Observation of the J = 5 and J = 6 ammonia bands at moderate resolution might permit choice between a cold trap model or the irreversible uv photodestruction model for the ammonia distribution. The lack of prominent emission cores in the NH3 rotation-inversion lines only implies that the mixing ratio is low. The ammonia is uniformly mixed if the inversion temperature is low but, at a higher inversion temperature, emission cores will be observed unless the photodissociation is extremely efficient down to at least the inversion layer.

Goorvitch, D.↗
NASA NTRS1981

Mass-loss rates from early-type stars

The mass loss rates are derived for a number of unevolved O-type stars and a few WN stars from high dispersion IUE spectra of their P Cygni profiles. When combined with other published mass loss rates, it is found that the relationship between log m and M sub BOL is a broad band rather than a linear relation, suggesting that the line radiation driven wind theory may not be sufficient to explain mass loss. The mass loss rates for the WN stars, while more uncertain, confirm that these stars lose mass about 100 times faster than O-stars.

Conti, P. S.↗
NASA NTRS1981

The DMSP imager (SSMI): Unfinished plans

The basic theory relating microwave emissivity to soil and snow moisture is presented along with data from field and aircraft measurements to support the theory. Data from the ESMR on Nimbus-5 and the S-194 L Band radiometer on Skylab were compared with Antecedent Precipitation indices (APT) to show the sensitivity of spaceborne observations to soil moisture. Similarly, data from the ESMR and SMMR on the Nimbus spacecraft were compared with surface measurements of snow depth with good results.

Savage, R. C.↗
NASA NTRS1985

Propagation and radiation characteristics of a multimode corrugated waveguide feedhorn

A prototype of the multimode corrugated feedhorn which will be used in the 400 kW CW Ka-band radar system is described. A rough design is done using coupled mode theory and standard corrugated waveguide modes. A more exact analysis using mode matching techniques is then used which takes into account the effect of a finite number of corrugations per wavelength and determines the modes which are reflected from the device. A prototype feedhorn has been constructed and measured. These experimental results are then compared to the theoretical predictions which agree satisfactorily closely.

Hoppe, D.↗
NASA NTRS1990

VLF wave emissions by pulsed and dc electron beams in space. II - Analysis of Spacelab 2 results

Results are presented from experiments on the generation of radio frequency waves in space plasmas by the injection of artificial electron beams into ionospheric plasmas that were conducted on the Spacelab 2 Space Shuttle mission. The observations of narrow-band radiation (Reeves et al., 1988) are compared with the prediction of a theory of wave generation by pulsed electron beams (Harker and Banks, 1987). Good agreement is found between the observations and predictions for the s = 0, root 2 solutions representing Cerenkov radiation with wave normal angles less than the Gendrin angle. Also, for broadband emissions, predictions using a single-ion cold plasma theory are compared with the observed features. The broadband dc and pulsed electron beam emissions also have features that can be explained in terms of the characteristics of whistler mode waves produced by Cerenkov resonance.

Reeves, G. D.↗
NASA NTRS1997

Electronic and Vibrational Spectra of InP Quantum Dots Formed by Sequential Ion Implantation

We have performed sequential ion implantation of indium and phosphorus into silica combined with controlled thermal annealing to fabricate InP quantum dots in a dielectric host. Electronic and vibrational spectra were measured for the as-implanted and annealed samples. The annealed samples show a peak in the infrared spectra near 320/cm which is attributed to a surface phonon mode and is in good agreement with the value calculated from Frolich's theory of surface phonon polaritons. The electronic spectra show the development of a band near 390 nm that is attributed to quantum confined InP.

Hall, C.↗
NASA NTRS1995

Accurate ab Initio Quartic Force Fields, Vibrational Frequencies, and Heats of Formation for FCN, FNC, ClCN, and ClNC

The XCN and XNC (X = F, Cl) isomers have been investigated using the CCSD(T) method in conjunction with correlation consistent basis sets. Equilibrium geometries, harmonic frequencies, anharmonic constants, fundamental frequencies, and heats of formation have been evaluated. Agreement with experiment for the fundamental frequencies is very good, even for nu(sub 2), for CICN, which is subject to a strong Fermi resonance with 2nu(sub 3). It is also shown that a second-order perturbation theory approach to solving the nuclear Schroedinger equation gives results in excellent agreement with essentially exact variational calculations. This is true even for nu(sub 2) of ClCN, provided that near-singular terms are eliminated from the perturbation theory formulas and the appropriate Fermi interaction energy matrix is then diagonalized. A band at 615/cm, tentatively assigned as the Cl-N stretch in ClNC in matrix isolation experiments, is shown not to be due to ClNC. Accurate atomization energies are determined and are used to evaluate accurate heats of formation (3.1 +/- 1.5, 33.2 +/- 1.5, 72.6 +/- 1.5, and 75.9 +/- 1.5 kcal/mol for FCN, ClCN, FNC, and ClNC, respectively). It is expected that the theoretical heats of formation for FCN, FNC, and ClNC are the most accurate available.

Lee, Timothy J.↗
NASA NTRS1996

Theoretical Chemistry At NASA Ames Research Center

The theoretical work being carried out in the Computational Chemistry Branch at NASA Ames will be overviewed. This overview will be followed by a more in-depth discussion of our theoretical work to determine molecular opacities for the TiO and water molecules and a discussion of our density function theory (DFT) calculations to determine the harmonic frequencies and intensities to the vibrational bands of polycyclic aromatic hydrocarbons (PAHs) to assess their role as carriers to the unidentified infrared (UIR) bands. Finally, a more in-depth discussion of our work in the area of computational molecular nanotechnology will be presented.

Langhoff, Stephen↗
NASA NTRS2003

Microscopic Modeling of Intersubband Optical Processes in Type II Semiconductor Quantum Wells: Linear Absorption

Linear absorption spectra arising from intersubband transitions in semiconductor quantum well heterostructures are analyzed using quantum kinetic theory by treating correlations to the first order within Hartree-Fock approximation. The resulting intersubband semiconductor Bloch equations take into account extrinsic dephasing contributions, carrier-longitudinal optical phonon interaction and carrier-interface roughness interaction which is considered with Ando s theory. As input for resonance lineshape calculation, a spurious-states-free 8-band kp Hamiltonian is used, in conjunction with the envelop function approximation, to compute self-consistently the energy subband structure of electrons in type II InAs/AlSb single quantum well structures. We demonstrate the interplay of nonparabolicity and many-body effects in the mid-infrared frequency range for such heterostructures.

Li, Jian-Zhong↗
NASA NTRS1995

Effect of modulator sorption on gradient shape in ion-exchange chromatography

Mobile phase additives, or modulators, are used in gradient elution chromatography to facilitate separation and reduce separation time. The modulators are usually assumed to be linearly adsorbed or unadsorbed. Here, the consequences of nonlinear modulator adsorption are examined for ion-exchange gradient elution through a series of simulations. Even when the buffer salt is identical to the modulator salt, gradient deformation is observed; the extent of deformation increases as the volume of the feed is increased. When the modulator salt is different from the buffer salt, unusual effects are observed, and the chromatograms are quite different from those predicted by classical gradient elution theory. In particular, local increases in the buffer concentration are found between feed bands, and serve to improve the separation. These effects become more pronounced as the feed volume increases, and could therefore prove valuable in preparative applications.

NASA Discipline Life Support Systems↗
NASA NTRS1989

A high level Ab initio study of the anionic hydrogen-bonded complexes FH-CN-, FH-NC-, H2O-CN- and H2O-NC-

HF, H2O, CN- and their hydrogen-bonded complexes were studied using state-of-the-art ab initio quantum mechanical methods. A large Gaussian one particle basis set consisting of triple zeta plus double polarization plus diffuse s and p functions (TZ2P + diffuse) was used. The theoretical methods employed include self consistent field, second order Moller-Plesset perturbation theory, singles and doubles configuration interaction theory and the singles and doubles coupled cluster approach. The FH-CN- and FH-NC- and H2O-CN-, H2O-NC- pairs of complexes are found to be essentially isoenergetic. The first pair of complexes are predicted to be bound by approx. 24 kcal/mole and the latter pair bound by approximately 15 kcal/mole. The ab initio binding energies are in good agreement with the experimental values. The two being shorter than the analogous C-N hydrogen bond. The infrared (IR) spectra of the two pairs of complexes are also very similar, though a severe perturbation of the potential energy surface by proton exchange means that the accurate prediction of the band center of the most intense IR mode requires a high level of electronic structure theory as well as a complete treatment of anharmonic effects. The bonding of anionic hydrogen-bonded complexes is discussed and contrasted with that of neutral hydrogen-bonded complexes.

Lee, Timothy J.↗
NASA NTRS1989

A high-level ab initio study of the anionic hydrogen-bonded complexes FH-CN(-), FH-NC(-), H2O-CN(-), and H2O-NC(-)

HF, H2O, CN- and their hydrogen-bonded complexes were studied using state-of-the-art ab initio quantum mechanical methods. A large Gaussian one particle basis set consisting of triple zeta plus double polarization plus diffuse s and p functions (TZ2P + diffuse) was used. The theoretical methods employed include self consistent field, second order Moller-Plesset perturbation theory, singles and doubles configuration interaction theory and the singles and doubles coupled cluster approach. The FH-CN- and FH-NC- and H2O-CN-, H2O-NC- pairs of complexes are found to be essentially isoenergetic. The first pair of complexes are predicted to be bound by approx. 24 kcal/mole and the latter pair bound by approximately 15 kcal/mole. The ab initio binding energies are in good agreement with the experimental values. The two being shorter than the analogous C-N hydrogen bond. The infrared (IR) spectra of the two pairs of complexes are also very similar, though a severe perturbation of the potential energy surface by proton exchange means that the accurate prediction of the band center of the most intense IR mode requires a high level of electronic structure theory as well as a complete treatment of anharmonic effects. The bonding of anionic hydrogen-bonded complexes is discussed and contrasted with that of neutral hydrogen-bonded complexes.

Lee, Timothy J.↗