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Structure and Dynamic Properties of Molten Lanthanum THbromide

Yoshihiro Okamoto and Torn Ogawa
Japan Atomic Energy Research Institute (JAERI),
Tokai-mura, Naka-gun, Ibaraki-ken, 319-1106, Japan
Z. Naturforsch. 54a, 91 -94 (1999);

[received November 27, 1998]

The structure of molten LaBr3 was investigated by X-ray diffraction and molecular dynamics simulations. It was found that the short range structure of molten LaBr3 is very similar to that of molten LaCl^, except for some structural features such as interionic distances based on the difference of anion sizes. In the MD simulation, the shear viscosity of molten LaBr-^ was estimated from the structurallyoptimized MD calculations.

Key words: Molten Salt; Rare Earth Halide; X-ray Diffraction; Molecular Dynamics.

1. Introduction