CONSTANT-PRESSURE MONTE-CARLO SIMULATIONS FOR LATTICE MODELS

被引：21
|
作者：
MACKIE, AD
PANAGIOTOPOULOS, AZ
FRENKEL, D
KUMAR, SK
机构：
[1] FOM,INST ATOM & MOLEC PHYS,1098 SJ AMSTERDAM,NETHERLANDS
[2] PENN STATE UNIV,DEPT MAT SCI & ENGN,UNIVERSITY PK,PA 16802
来源：
EUROPHYSICS LETTERS | 1994年 / 27卷 / 07期
关键词：
D O I：
10.1209/0295-5075/27/7/010
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Computer simulations of lattice systems have not been performed under constant pressure conditions since a volume change move involving the addition or removal of a whole lattice layer has a low acceptance probability. We propose a new method to improve the efficiency of the volume change move and thus allow for the simulation of lattice systems in the isothermal-isobaric ensemble. The method is shown to predict properties for lattice polymer systems in two and three dimensions in excellent agreement with thermodynamic integration results.
引用
收藏
页码：549 / 554
页数：6
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