Meyer, Axel (Professor of physics)
M.S. (Master of Science)
Department of Physics
Liquid metals||Chemistry, Physical and theoretical
Three groups of calculations on the liquid simple metal pair potential v(r) have been completed. Basically these calculations are to estimate v(r) numerically from the structure factor S(k) obtained from the diffraction experiments. This is achieved by a simple fourier transform of the difference of reciprocals of the "best fit" structure factor and the experimentally obtained structure factor. We use the LWCA model to calculate the "best fit" structure factor. This involves a 2-parameter search for the best least-square fit to the experimental data of S(k) beyond the principal peak. The fourier transform appropriate in random phase approximation is used for calculating the "perturbing" potential over and above the already-accounted-for linear repulsive core potential. The three groupings study the dependence of the tail of the interatomic potential on valence, temperature and experimenter-beam type. General discussions of pair distribution functions, hard-sphere fluids, and perturbation theory are also included.
Chern, Gung, "Interatomic potential derived from liquid metal structure factors" (1984). Graduate Research Theses & Dissertations. 3612.
vii, 39 pages
Northern Illinois University
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