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At least 19 records

Formation of metallic LiH

It is shown that a metallic form of LiH may be produced at the relatively low transition pressure of 1.1 mbar. LiH may thus be applied to studies of insulator-metal transition at high pressure. Experimental data is used to calculate LiH transition parameters: first, Herzfeld's criterion (1927) is used to determine the volume at which metallic behavior begins, and second, pressure-volume measurements for estimating the pressure at which this volume is achieved are extrapolated. For comparison, the same volume-pressure calculation is performed for H2, and it is found that the metallization of LiH should occur more easily than that of H2.

Vaisnys, J. R.↗

Compton profile of LiH.

Compton profile from single crystal of LiH measured with X ray scattering, noting valence- electron momentum distribution role

Phillips, W. C.↗

Semirigorous bounds for the dipole moments and transition moments of the LiH molecule

Semirigorous error limits for the dipole moments and transition moments of LiH at R = 3.015 bohr are reported. Weinhold's formula for the upper and lower bounds to transition moments is extended to include transitions between states of the same symmetry, and Chong's (1976) semirigorous expression for the lower bound to the overlap between the approximate and the true wavefunctions is applied to the calculation. The semirigorous theory of Chong was also generalized in the sense that the zeroth-order wavefunction was allowed to contain many configuration state functions instead of just the Hartree-Fock or first natural configuration state function.

Langhoff, S. R.↗

Theoretical Treatment of the X(sup 1)Sigma(sup +), A(sup 1)Sigma(sup +), and B(sup 1)Pi states of LiH

Ab initio self-consistent-field plus configuration-interaction calculations are reported for the X(sup 1)Sigma(sup +), A(sup 1)Sigma(sup +), and B(sup 1)Pi states of LiH using a 22(sugma)12(pi)7(delta) function Slater basis set. The resulting dissociation energies, with the experimental values in parentheses, are D(sub e)(X(sup 1)Sigma(sup +)) = 19 972 (20288)/ cm, and D(sub e)(A(sup 1)Sigma(sup +)) = 9042 (8682)/ cm, and D(sup e)(B(sup 1)Pi) = 284 (288) /cm. This is the first ab initio treatment to quantitatively account for the binding in the B(sup 1)Pi state. Calculated dipole moments and electronic transition moments for the X(sup 1)Sigma(sup+)-A(sup 1)Sigma(sup +), X(sup 1)Sigma(sup +)-B((sup 1)Pi, and A(sup 1)Sigma(sup +)- B(sup 1)PI band systems are in excellent agreement with existing theoretical and experimental data. Radiative transition probabilities and lifetimes, including both the bound-bound and bound-free contributions, are computed for all vibrational levels of the A(sup 1)Sigma(sup+) and B(sup 1)Pi states. Comparison with previous results using experimentally based potentials provides insight into the sensitivity of the radiative lifetimes to the detailed nature of the uppermost region of the potentials. Our calculated lifetimes for the lower vibrational levels of the A(sup 1)Sigma(sup +) state are within the experimental uncertainty. Our calculated lifetimes for the three vibrational levels of the B(sup 1)Pi state are in excellent agreement with those of Zemke and Stwalley (values in parentheses), increasing with (upsilon)' from 11.3 (11.3) nsec at (upsilon)' = 0, to 17.0 (17.0) nsec at (upsilon)' = 1, and then to 23.5 (24.0) nsec at (upsilon)' = 2.

Partridge, Harry↗

S8DR shield examination

The SNAP 8 developmental reactor lithium hydride shield was examined after being irradiated for over 7000 hours at relatively low temperature. A crack was located in the seam weld of the containment vessel, probably the result of hot short cracking under thermal stress. The LiH was visually examined at two locations and its appearance was typical of low temperature irradiated LiH. The adherence of the chrome oxide emittance coating was found to be excellent.

Mason, D. G.↗

Reactor design and integration into a nuclear electric spacecraft

One of the well-defined applications for nuclear power in space is nuclear electric propulsion (NEP). Mission studies have identified the optimum power level (400 kWe). A single Shuttle launch requirement and science-package integration have added additional constraints to the design. A reactor design which will meet these constraints has been studied. The reactor employs 90 fuel elements, each heat pipe cooled. Reactor control is obtained with BeO/B4C drums in a BeO reflector. The balance of the spacecraft is shielded from the reactor with LiH. Power conditioning and reactor control drum drives are located behind the LiH with the power conditioning. Launch safety, mechanical design and integration with the power conversion subsystem are discussed.

Phillips, W. M.↗

Calculation of radiative transition probabilities and lifetimes

Procedures for calculating bound-bound and bound-continuum (free) radiative transition probabilities and radiative lifetimes are summarized. Calculations include rotational dependence and R-dependent electronic transition moments (no Franck-Condon or R-centroid approximation). Detailed comparisons of theoretical results with experimental measurements are made for bound-bound transitions in the A-X systems of LiH and Na2. New bound-free results are presented for LiH. New bound-free results and comparisons with very recent fluorescence experiments are presented for Na2.

Zemke, W. T.↗

Negative ions from alkali hydrides as a source for H(-) beams

The production of H(-) ions by heating LiH powder in a high-temperature crucible was investigated experimentally and theoretically. It is found that the efficiency of H(-) ion production by this method is high. However, the theory for the negative surface ionization indicates that such high efficiency is not possible at crucible temperatures of about 750 C. The need for a further study of LiH ionization is emphasized.

Srivastava, S. K.↗

Electronic states of molecules. II.

Self consistent field molecular orbital method in LCAO /linear combination of atomic orbitals/ approximation applied to LiH ground state for potential energy curve

Hanley, M. J.↗

Thermionic reactor power system: Effects of radiation on integration with Manned Space Station

The application of a thermionic reactor power system to the modular space station is described. The nominal net power is 40 kWe, with the power system designed to be applicable over the power range from 25 to 60 kWe. The power system is designed to be launched by the space shuttle. Radiation protection is provided by LiH neutron shielding and W gamma shielding in a shaped 4 pion configuration, i.e., the reactor is shielded on all sides but not to equal extent. Isodose contours are presented for the region around the modular space station. Levels and spectral distribution of radiation are given for later evaluation of effects on space station experiments. Parametric data on the effects of separation distance on power system mass are presented.

Gietzen, A. J.↗

Correlation of materials properties with the atomic density concept

Progress is described in developing, through mathematical expressions, values for the parameters which apparently determine the values of atomic density, melting point, and principal elastic constant for the alkali halides. This necessarily required the review and refinement of these data for the monohalides in general and for LiH. A more sensitive and dimensionless expression of the mass factor appears to have promise and a still more sensitive one is suggested for future study. A periodicity factor based on inert gas core configuration has been suggested to replace the atomic number previously used.

Bradstreet, S. W.↗

Analysis of temperature and pressure distribution of containers for nuclear waste material disposal in space

A computer program was adapted from a previous generation program to analyze the temperature and internal pressure response of a radioactive nuclear waste material disposal container following impact on the earth. This program considers component melting, LiH dissociation, temperature dependent properties and pressure and container stress response. Analyses were performed for 21 cases with variations in radioactive power level, container geometry, degree of deformation of the container, degree of burial and soil properties. Results indicated that the integrity of SS-316 containers could be maintained with partial burials of either underformed or deformed containers. Results indicated that completely buried waste containers, with power levels above 5 kW, experienced creep stress rupture failures in 4 to 12 days.

Vanbibber, L. E.↗

Effect of reactor coolant radioactivity upon configuration feasibility for a nuclear electric propulsion vehicle

A preliminary shielding analysis was carried out for a conceptual nuclear electric propulsion vehicle designed to transport payloads from low earth orbit to synchronous orbit. The vehicle employed a thermionic nuclear reactor operating at 1575 kilowatts and generated 120 kilowatts of electricity for a round-trip mission time of 2000 hours. Propulsion was via axially directed ion engines employing 3300 pounds of mercury as a propellant. The vehicle configuration permitted a reactor shadow shield geometry using LiH and the mercury propellant for shielding. However, much of the radioactive NaK reactor coolant was unshielded and in close proximity to the power conditioning electronics. An estimate of the radioactivity of the NaK coolant was made and its unshielded dose rate to the power conditioning equipment calculated. It was found that the activated NaK contributed about three-fourths of the gamma dose constraint. The NaK dose was considered a sufficiently high fraction of the allowable gamma dose to necessitate modifications in configuration.

Soffer, L.↗