Effective Interionic Potentials and Properties of Molten Metals

概要

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The Born-Green equation has been solved numerically to derive the effective interionic potentials from the structural data observed by X-ray or neutron diffraction experiments for molten metals (alkali metals, Mg, Zn, Cd, Hg, Al, Ga, In, Tl, Sn, Pb, Sb and Bi) using a linearized simultaneous equation method. In all the cases the temperature insensitive long-range oscillatory type potentials were found. The damping-behaviour of the oscillations for molten Sb and Bi remarkably deviates from that for the usual metals such as Na. For most of the metals the wavelength of the oscillations observed in this work is moderately in good agreement with that expected from the electron theory of metals. The repulsive core in the effective interionic potentials for molten metals is found to have broader width in space in contrast to the narrow width in the case of rare-gas elements. The self-diffusion coefficient, viscosity coefficient and surface tension have been calculated using the effective interionic potentials obtained in this work and they agree with experimental data except in the case of molten Sb and Bi.
東北大学の論文