Molecular dynamics study of melting and fcc-bcc transitions in Xe

被引：47

作者：

Belonoshko, AB ^{[1
]}

Ahuja, R

Johansson, B

机构：

[1] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden

[2] Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden

来源：

PHYSICAL REVIEW LETTERS | 2001年 / 87卷 / 16期

关键词：

D O I：

10.1103/PhysRevLett.87.165505

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have investigated the phase diagram of Xe over a wide pressure-temperature range by molecular dynamics. The calculated melting curve is in good agreement with earlier experimental data. At a pressure of around 25 GPa and a temperature of about 2700 K we find a triple fcc-bcc liquid point. The calculated fcc-bcc boundary is in nice agreement with the experimental points, which, however, were interpreted as melting. This finding suggests that the transition from close-packed to bcc structure might be more common at high pressure and high temperature than was previously anticipated.

引用

页数：4

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