Multibaric-Multithermal Ensemble Study of Liquid-Solid Phase Transition in Lennard-Jones Particles

被引：7
|
作者：
Kaneko, Toshihiro [1 ]
Mitsutake, Ayori [2 ]
Yasuoka, Kenji [1 ]
机构：
[1] Keio Univ, Dept Mech Engn, Kouhoku Ku, Yokohama, Kanagawa 2238522, Japan
[2] Keio Univ, Dept Phys, Kouhoku Ku, Yokohama, Kanagawa 2238522, Japan
来源：
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2012年 / 81卷
关键词：
multibaric-multithermal ensemble; liquid-solid phase transition; Lennard-Jones particles; phase diagram;
D O I：
10.1143/JPSJS.81SA.SA014
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Molecular dynamics simulations in a multibaric-multithermal ensemble have been carried out for Lennard-Jones systems of 108 and 256 particles. Using reweighting techniques, the temperature dependence of the isobaric heat capacity is calculated, and a liquid-solid coexistence curve on the pressure-temperature plane is also determined from heat capacity peaks. The curve is in good agreement with those obtained by other methods in previous reports.
引用
收藏
页数：8
相关论文
共 50 条
12345