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Manninen, M.; Nieminen, R.M.
Jyvaeskylae Univ. (Finland). Dept. of Physics1978
Jyvaeskylae Univ. (Finland). Dept. of Physics1978
AbstractAbstract
[en] The spherical solid model and the spin-density functional formalism have been applied to calculate the screening of a positive point charge at different lattice sites in Al, Na and Cu. Results are obtained for the Knight shift, the electric field gradient, the heat of solution and the diffusion barrier. It is found essential to use the spin-polarized form to evaluate the Knight shift, especially at low metallic densities and for impurities with a high nuclear charge. Both the Knight shift and the electric field gradient are found to be markedly different for substitutional and interstitial positions. The calculated heat of solution of hydrogen is lowest for the octahedral position in fccAl and for the tetrahedral position in bcc Na, indicating that no hydrogen trapping at vacancies occurs in these metals. (author)
Secondary Subject
Source
Dec 1978; 33 p; ISBN 951-678-119-5; 

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Report
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ALKALI METALS, ANGULAR MOMENTUM, CRYSTAL DEFECTS, CRYSTAL LATTICES, CRYSTAL STRUCTURE, CUBIC LATTICES, ELEMENTARY PARTICLES, ELEMENTS, ENTHALPY, FERMIONS, LEPTONS, MATHEMATICAL MODELS, METALS, NONMETALS, ORIENTATION, PARTICLE PROPERTIES, PHYSICAL PROPERTIES, POINT DEFECTS, THERMODYNAMIC PROPERTIES, TRANSITION ELEMENTS
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