SURFACE MELTING OF A MOLECULAR-CRYSTAL BY COMPUTER-SIMULATIONS

被引：6
|
作者：
BOUTIN, A
ROUSSEAU, B
FUCHS, AH
机构：
[1] Laboratoire de Chimie-Physique des Matériaux Amorphes (UA 1104 CNRS), Bâtiment 490, Université de Paris-Sud
来源：
SURFACE SCIENCE | 1993年 / 287卷
关键词：
D O I：
10.1016/0039-6028(93)91089-8
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
In this paper we report some results of an extensive study of surface thermal disordering of crystalline sulphur hexafluoride (SF6). The isotropy of the melting behavior of a polyatomic molecular crystal is clearly demonstrated by MD simulation. A logarithmic divergence of the liquid-like layer is observed as the triple point is approached. A similar result had been obtained experimentally in the case of thin films.
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页码：866 / 870
页数：5
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