DENSITY-FUNCTIONAL THEORY OF SURFACE MELTING

被引:54
作者
OHNESORGE, R
LOWEN, H
WAGNER, H
机构
[1] Sektion Physik der Universität M̈nchen, D-8000 M̈nchen 2
来源
PHYSICAL REVIEW A | 1991年 / 43卷 / 06期
关键词
D O I
10.1103/PhysRevA.43.2870
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A microscopic theory of planar crystal surface melting is described and applied to rare gases with Lennard-Jones potential. Explicit results for the solid-vapor density profiles are presented that exhibit surface melting in the vicinity of the triple point. Our approach is based on density-functional techniques combined with a van der Waals approximation and a hard-sphere fluid as a reference system.
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页码:2870 / 2878
页数:9
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