Abstract
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 15 m/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 46-61 Å under moderate heat-loss conditions, with variations between 27 A and 117 Å, 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.
| Original language | English |
|---|---|
| Pages (from-to) | 094110-1-094110-10 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 70 |
| Issue number | 9 |
| DOIs | |
| State | Published - Sep 2004 |
| Externally published | Yes |
Funding
The authors would like to thank Dr. Aleksandra Chojnacka for invaluable discussions regarding her explosive crystallization experiments. The authors would also like to thank the National Science Foundation for a KDI award, No. 9980100, for financial support of this work. The NSF-sponsored Cornell Center for Materials Research provided some of the necessary computational resources.