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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Electrets used in measuring rocket exhaust effluents from the space shuttle's solid rocket booster during static test firing, DM-3

The purpose of this experimental research was to compare Marshall Space Flight Center's electrets with Thiokol's fixed flow air samplers during the Space Shuttle Solid Rocket Booster Demonstration Model-3 static test firing on October 19, 1978. The measurement of rocket exhaust effluents by Thiokol's samplers and MSFC's electrets indicated that the firing of the Solid Rocket Booster had no significant effect on the quality of the air sampled. The highest measurement by Thiokol's samplers was obtained at Plant 3 (site 11) approximately 8 km at a 113 degree heading from the static test stand. At sites 11, 12, and 5, Thiokol's fixed flow air samplers measured 0.0048, 0.00016, and 0.00012 mg/m3 of CI. Alongside the fixed flow measurements, the electret counts from X-ray spectroscopy were 685, 894, and 719 counts. After background corrections, the counts were 334, 543, and 368, or an average of 415 counts. An additional electred, E20, which was the only measurement device at a site approximately 20 km northeast from the test site where no power was available, obtained 901 counts. After background correction, the count was 550. Again this data indicate there was no measurement of significant rocket exhaust effluents at the test site.

Susko, M.↗
NASA NTRS1979

The Addition of EI/CI Capability to the Mattauch-herzog Spectrograph with EOID

A modification was made to the Mattauch-Herzog Spectrograph with an electro-optical ion detector (EOID) previously designed and constructed, so that it would be capable of operating not only in the electron-impact (EI) mode of ionization, but also in the chemical ionization (CI) mode. This modification necessitated an effort in three specific design areas: (1) sample inlet; (2) ion source and analyzer regions; and (3) the pumping system. In addition, an appropriate electronics package had to be designed to control and operate the combined EI/CI source.

Fergusson, G. J.↗
NASA NTRS1979

Dynamics of the collinear Be + FH yielding BeF + H reaction

Results of a study of the collinear reaction Be + FH(nu1) yielding BeF(nu2) + H are summarized. The surface was obtained by an ab initio first-order wave function CI calculation. Dynamics were studied using quasi-classical trajectories. A comparison study was made using a LEPS surface with similar characteristics. The ab initio surface was found to give rise to quite special results. Because of interest in the analogous Ba + HF system, the effect of varying the mass of the atom was observed.

Schor, H.↗
NASA NTRS1979

Ab initio studies of the electronic structure of UF6, UF6/+/, and UF6/-/ using relativistic effective core potentials

The paper presents ab initio calculations performed on the electronic states of UF6, UF6(+), and UF6(-) using a relativistic effective core potential (ECP) for uranium and a nonrelativistic ECP for fluorine. In most of the calculations 56 valence electrons are treated explicitly using a contracted (3s 3p 2d 2f/2s2p) Gaussian basis. It is noted that various ECP's were explored, but all yield an overall charge density of U(+2.4)/F(-0.4)/6. In addition, the bonding in the ground state of UF6 is discussed. SCF and CI calculations on UF6(+) are compared with the experimental photoelectron spectrum and with previous scattered wave calculations. Further, the role of spin-orbit coupling in the states of UF6(+) and UF6(-) is covered. Finally, it is concluded that the calculated electron affinity of UF6 (7.1 eV) is considerably larger than in current experimental estimates, but the relative energies of the states of UF6(-) are in agreement (0.1-0.2 eV) with those of the experiment.

Hay, P. J.↗
NASA NTRS1980

Interaction of the intermediate energy neutrino with nuclei

The interaction of the electronic neutrino with nuclei C-12, O-16, Ci-37, Fe-56, Ga-71, and Br81 is considered for neutrino energy up to 300 MeV. The nuclei are described by single-particle shell-model with Woods-Saxon potential. The parameters of the potential are specially chosen for each nuclei in order to describe correctly the upper occupied single particle levels of the nuclei. The cross sections for inelastic and elastic interactions of neutrino with nuclei are calculated within this model, taking into account charged and neutral current of weak interaction. The neutral currents are described by Weinberg theory. The results of the cross section calculations are presented and the comparisons with the results of the other authors are given. The possibilities of improvement of the exactness of obtained results are discussed. Some details of the calculations are included.

Bugayev, E. V.↗
NASA NTRS1979

The radioracemization of isovaline - Cosmochemical implications

The optically pure D- and L-enantiomers of isovaline, which cannot be racemized by ordinary chemical mechanisms involving alpha-hydrogen removal and which has been isolated in apparently racemic form from the Murchison meteorite, have been subjected to partial radiolysis by the ionizing radiation from a 3000-Ci Co-60 gamma-ray source. Both in the anhydrous and hydrated solid states and as solid sodium or hydrochloride salts each enantiomer suffered significant radioracemization of the undestroyed residue during its partial radiolysis. The sodium salt of isovaline in 0.1-M aqueous solution suffered extensive radiolysis with relatively small radiation doses, but showed no detectable radioracemization. The significance of these observations with respect to the primordial enantiomeric composition of the isovaline (and other amino acids) indigenous to meteorites is discussed.

Bonner, W. A.↗
NASA NTRS1979

Aqueous activity on asteroids - Evidence from carbonaceous meteorites

Carbonaceous chondrites of groups CI and CM were formed by impact brecciation and aqueous alteration of earlier generations of mineral phases within the surface regions of two or more parent bodies. Those parent bodies were probably asteroids, rather than comets, although a problem still exists in delivering such material safely to earth. Aqueous activity may have been widespread on asteroids.

Kerridge, J. F.↗
NASA NTRS1980

Infrared reflectance spectra of asteroids - A search for water of hydration

Infrared reflectance spectra have shown the presence of an absorption feature in the 3-4 micron region for seven C and U asteroids. By comparison with laboratory spectra of terrestrial silicates and meteorites, it is concluded that this band is probably due to water in the form of hydrated salts and silicates (clay minerals), implying that the surface material of these asteroids may be analogous to the CI and CM carbonaceous chondritic meteorites. The presence of other hydrated minerals, however, cannot be ruled out. The depths of the water bands in the spectra vary from asteroid to asteroid, though no asteroid spectrum shows a band as deep as was detected on 1 Ceres. On four other C asteroids, no water band was detected. The implications of these observations for the mineralogy of these asteroids are discussed

Lebofsky, L. A.↗
NASA NTRS1980

Chemical classification of iron meteorites. IX - A new group /IIF/, revision of IAB and IIICD, and data on 57 additional irons

The paper discusses the chemical classification of independent iron meteorites which include 57 meteorites based on structural observations and concentrations of Ni, Ga, Ge, and Ir. Instrumental neutron activation analysis indicates that five previously studied irons with very high Ge/Ga ratios are compositionally closely related and can be gathered together as group IIF; a previously unstudied iron, Dehesa, has the highest Ge/Ga ratios known in an iron meteorite, a ratio 18 times higher than that in CI chondrites. In terms of Ge/Ga ratios and other properties, group IIF shows genetic links to the Eagle station pallasites and CO/CV chondrites. The iron with the highest Ni concentration, Oktibbeha County, is a member of group IAB, and it extends the concentration ranges of all elements in this nonmagnetic group.

Kracher, A.↗
NASA NTRS1980

An ab initio calculation of the zero-field splitting parameters of the 3A-double prime state of formaldehyde

The spin dipole-dipole and spin-orbit contributions to the zero-field splitting of the 3A-double prime state of formaldehyde have been evaluated at the excited state experimental geometry. Ab initio CI wave functions were generated from a Dunning double zeta plus polarization bases set using 3A-double prime rhf orbitals. Twelve states of each symmetry were used to evaluate the second-order spin-orbit effect. The resulting values of D and E were 0.19 and 0.03 kayser with the principal magnetic axes rotated 36 deg from the CO bond. The values of alpha and beta relative to the inertial axes were calculated to be 0.03 and 0.01 kayser compared to the experimental values of 0.05 plus or minus 0.01 and 0.02 plus or minus 0.02 kayser.

Davidson, E. R.↗
NASA NTRS1980

Theoretical treatment of the spin-orbit coupling in the rare gas oxides NeO, ArO, KrO, and XeO

Off-diagonal spin-orbit matrix elements are calculated as a function of internuclear distance for the rare gas oxides NeO, ArO, KrO, and XeO using the full microscopic spin-orbit Hamiltonian, including all one- and two-electron integrals, and POL-CI wave functions comparable to those of Dunning and Hay (1977). A good agreement was found when comparing these results in detail with the calculations of Cohen, Wadt and Hay (1979) that utilize an effective one-electron one-center spin-orbit operator. For the rare gas oxide molecules, it is suggested that the numerical results are a more sensitive test of the wave functions (particularly to the extent of charge transfer) than the exact evaluation of all terms in the full spin-orbit operator.

Langhoff, S. R.↗
NASA NTRS1981

A compressed cloud in the Vela supernova remnant

To elucidate the nature of the interstellar medium in the vicinity of the Vela supernova remnants (SNR) an extensive study with the International Ultraviolet Explorer of interstellar absorption lines toward 35 stars in the vicinity of the Vela SNR was undertaken. Observations of interstellar absorption, in particular of CI, towards one of these stars, HD 72350 (type B4 III), is of particular interest.

Jenkins, E. B.↗
NASA NTRS1980

On the low lying singlet states of BeO

Calculations of the ground and low-lying singlet states of BeO are performed in order to gain an understanding of the techniques needed to treat the excited states of other, more complex, ionic molecules. The MCSCF and CI calculations are based on a Gaussian basis set of slightly better than double zeta plus polarization quality for single configuration descriptions of the states. The calculated X-A and X-B state separations are found to be in agreement with experimental measurements. The 1 Sigma - and 1 Delta states are predicted to lie approximately 40,000 kaysers above the ground state and are identified as the C and D states.The 2 1 Pi state is found to be approximately 15,000 kaysers and the 3 1 Sigma + state is found to be approximately 65,000 kaysers above the ground state.

Bauschlicher, C. W., Jr.↗
NASA NTRS1981

On the low-lying states of MgO. II

Using a double zeta plus polarization basis set of Slater orbitals, full valence MCSCF (FVMCSCF) calculations were performed for the low-lying states of MgO. For each state the FVMCSCF calculations were used to identify the important configurations which are then used in the MCSCF calculation and subsequently as references in a single and double excitation CI calculation. This approach is found to treat all states equivalently, with the maximum error in the computed transition energies and equilibrium bond lengths of 800/cm and approximately 0.03 A, respectively. The b 3 Sigma + state which has yet to be characterized experimentally is predicted to have a transition energy of approximately 8300/cm and a bond length of 1.79 A. A spectroscopic analysis of the potential curves indicates that their shapes are in quite reasonable agreement with the range of experimental results.

Bauschlicher, C. W., Jr.↗
NASA NTRS1981

On the use of corresponding orbitals in the calculation of nonorthogonal transition moments

Full valence and first-order CI wave functions are invariant with respect to unitary transformations among the valence orbitals. We exploit this degree of freedom and show that by transforming the valence orbitals into a corresponding orbital basis, nonorthogonal transition moment calculations become an easily managed task. Sample full valence calculations on several states of O2(+) and OF are also presented.

Lengsfield, B. H., III↗
NASA NTRS1981

Elemental composition of aerosols in fourteen experiments of the Cloud Condensation Nuclei Workshop

Aeosols were collected with two Ci impactors and analyzed with proton induced X-ray emission (PIXE) for chemical composition and to detect if contamination was present. One of the impactors sampled the generated aerosols; the other impactor sampled droplets from a diffusion cloud chamber. The purpose of the experiments was to test the feasibility of a study of the transfer of chemical elements from the fine particle sizes to the coarse particle sizes, after CCN are activated and cloud droplets are formed. The data indicated that sulfur-containing aerosols did exhibit the expected transfer.

Mach, W. H.↗
NASA NTRS1982

Theoretical studies of the electronic structure of small metal clusters

Theoretical studies of the electronic structure of metal clusters, in particular clusters of Group IIA and IIB atoms were conducted. Early in the project it became clear that electron correlation involving d orbitals plays a more important role in the binding of these clusters than had been previously anticipated. This necessitated that computer codes for calculating two electron integrals and for constructing the resulting CI Hamiltonions be replaced with newer, more efficient procedures. Program modification, interfacing and testing were performed. Results of both plans are reported.

Jordan, K. D.↗
NASA NTRS1982

Low resolution ultraviolet and optical spectrophotometry of symbiotic stars

Low resolution International Ultraviolet Explorer spectra combined with optical spectrophotometry provide absolute flux distributions for seven symbiotic variables from 1200 to 6450 A. For five stars (EG And, BF Cyg, CI Cyg, AG Peg, and Z And) the data are representative of the quiescent/out-of-eclipse energy distributions; for CH Cyg and AX Per, the observations were obtained following their atest outburst in 1977 and 1978, respectively. The de-reddened distributions reveal a remarkable diversity of both line spectra and continua. While the optical and near infrared regions lambda = 5500 A) are well represented by single component stellar models, multicomponent flux distributions are required to reproduce the ultraviolet continua.

Slovak, M. H.↗