A Molecular-Dynamics Model for Thermal Failure of the BCC Crystal. II. Structure

The Physics of Metal and Metallography, Vol. 74, No. 6, 1992 Original Russian Edition Copyright © 1992 by The Physics of Metals and Metallography English Translation Copyright © 1992 by Interperiodica.

A. E. Galashev and I. G. Mukhina

Abstract —The structure of a stable and a superheated sodium crystal (including a failing one) is studied in a molecular-dynamics model. The radial distribution function of the bcc crystal differs in shape only insignificantly from that of liquid sodium. Variations in the structure of the crystal with increasing temperature are angle distribution of the nearest geometrical neighbors and the abrupt decrease in the number of polyhedral of the cuboctahedron-type point to a complete disorder in the bcc crystal.

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