Atomistic computer simulation of explosive crystallization in pure silicon and germanium

This work describes the first atomic-scale computer simulation of explosive crystallization, a process by which an amorphous material, such as Si or Ge, can crystallize at speeds around 150.3em0exm∕s facilitated by a liquid layer that intervenes between the crystal and amorphous regions. We study the nature of this liquid layer and its extent under conditions approaching steady state and estimate its width to range from 46--610.3em0ex under moderate heat-loss conditions, with variations between 270.3em0ex and 1170.3em0ex, depending on heat-loss conditions. The velocity of the crystallizing growth front, the temperature difference across the liquid layer, and the dependence of system properties on heat loss show similarities to recent experimental data.