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NASA NTRS1976

Far ultraviolet excitation processes in comets

Recent observations of atomic oxygen and carbon in the far ultraviolet spectrum of comet Kohoutek have demonstrated the existence of these atomic species in the cometary coma. However, in order to identify the source of their origin, it is necessary to relate the observed ultraviolet flux to the atomic production rate. Analyses of observed OI wavelength 1304 and CI wavelength 1657 A multiplets have been carried out using high resolution solar spectra. Also examined is the possibility of observing ultraviolet fluorescence from molecules such as CO and H2, as well as resonance scattering either from atomic ions for which there are strong corresponding solar lines (CII) or from atoms for which there is an accidental wavelength coincidence (SI).

Feldman, P. D.↗
NASA NTRS1976

Explanation for the very low Ga and Ge concentrations in some iron meteorite groups

Parallels between the abundance patterns of moderately volatile elements in iron meteorites and ordinary chondrites are pointed out and discussed in relation to condensation processes in the solar nebula. The discussion is centered around a graph in which As, Cu, Ga, Ge to Ni ratios, normalized to CI chondrites, are compared for IVB, IVA, IVB, and IIIAB irons and H-group ordinary chondrites. The patterns suggest that the same volatile loss mechanism was at work for both IVB irons and ordinary chondrites, but was more efficient in the IVB process. A picture for the process at the IVB location is proposed, according to which condensation occurred when temperature decreased rapidly and trace metals condensed as a fine aerosol that was later blown away by a T-Tauri solar storm. Condensation at the H-group location was more complete because of a less rapid temperature decrease, allowing trace metals to diffuse deeper into Fe-Ni grains. Possible ways in which IVA conditions may have differed from IIIAB or H conditions are also proposed and discussed.

Wasson, J. T.↗
NASA NTRS1976

The eigenvalue spectrum of the Orr-Sommerfeld problem

A numerical investigation of the temporal eigenvalue spectrum of the ORR-Sommerfeld equation is presented. Two flow profiles are studied, the plane Poiseuille flow profile and the Blasius boundary layer (parallel): flow profile. In both cases a portion of the complex c-plane bounded by 0 less than or equal to CR sub r 1 and -1 less than or equal to ci sub i 0 is searched and the eigenvalues within it are identified. The spectra for the plane Poiseuille flow at alpha = 1.0 and R = 100, 1000, 6000, and 10000 are determined and compared with existing results where possible. The spectrum for the Blasius boundary layer flow at alpha = 0.308 and R = 998 was found to be infinite and discrete. Other spectra for the Blasius boundary layer at various Reynolds numbers seem to confirm this result. The eigenmodes belonging to these spectra were located and discussed.

Antar, B. N.↗
NASA NTRS1976

Trace element evidence regarding a chondritic component in howardite meteorites

The concentrations of siderophiles Ni, Ge, Ru, Ir, and Au and volatiles Zn, Ga, Cd, and In in howardite meteorites were determined and are discussed along with similar data for eucrites and diogenites. The concentrations of the chondritic component in howardites are remarkably high. The concentrations in four high-siderophile howardites are comparable to those found in mature soils from the lunar highlands. The amounts of excess volatiles are roughly consistent with those expected if the chondritic component resemble CI, CM, or E4 chondrites. Evidence indicates that the howardite parent body had a radius of several hundred kilometers, and the most probable formation location was 1-2 AU from the sun.

Chou, C.-L.↗
NASA NTRS1977

The pristine nature of comets

Abundance considerations suggest that comets are likely to be the most pristine minor bodies in the solar system. In proportion to solar abundances, the present scanty data suggest that cometary oxygen is not depleted, whereas carbon is by a factor of 4 and hydrogen, by a factor of 2000. This implies that comets are less depleted in H, C, N, O than CI chondrites, namely 10:1 in hydrogen, 4:1 in carbon and 3:1 in oxygen. These results have been obtained by using dust-to-gas ratios in comets to measure the relative abundance of silicon and metals to volatile material, and the spectra of atomic lines, mainly from the vacuum ultraviolet, to determine the H/O and C/O ratios of the mixture of volatile molecules.

Delsemme, A. H.↗
NASA NTRS1978

A theoretical study of the electronic transition moment for the C2 Swan band system

Large-scale self-consistent-field plus configuration-interaction calculations have been performed for the a 3Pi u and d 3Pi g states of C2. The theoretical potential curves are in good agreement with those found by a Klein-Dunham analysis of measured molecular constants in terms of shape and excitation energy. The sum of the squares of the theoretical transition moments between the states at 2.44 bohr is 4.12 a.u. which agrees with the results of shock tube measurements. The variation in the sum of the squares of the theoretical moments with internuclear separation agrees with the values of Danylewych and Nicholls (1974). Based on the data for C2 and mother molecules, it is suggested that CI calculations using near Hartree-Fock quality Slater basis sets produce highly reliable transition moments.

Arnold, J. O.↗
NASA NTRS1978

Radiolysis, racemization and the origin of molecular asymmetry in the biosphere

An investigation has been undertaken to determine whether ionizing radiation might engender racemization of optically active amino acids, along with their usual radiolysis. As prototypes, crystalline Dand L-leucine, as well as aqueous solutions of their sodium salts were exposed to the radiation from a 3000 Ci Co-60 gamma-ray source. Gamma-ray doses which caused about 68% radiolysis of solid leucine left a residue which was about 5% racemized, while racemization proved even greater at lower doses for the dissolved sodium salts. In aqueous solution both percent degradation and percent racemization of the sodium salts were proportional to gamma-ray dosage within the range employed (1,000,000-27,000,000 rads). Implications of these observations for the origin of molecular asymmetry by the beta-decay parity violation mechanism are discussed.

Bonner, W. A.↗
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.↗