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
相关论文
共 50 条
  • [41] MONTE-CARLO SIMULATION OF INTERFACIAL ADSORPTION IN SIMPLE LATTICE MODELS
    SELKE, W
    [J]. JOURNAL OF METALS, 1983, 35 (08): : A24 - A24
  • [42] A LATTICE MODEL OF A SUPPORTED MONOLAYER OF AMPHIPHILE MOLECULES - MONTE-CARLO SIMULATIONS
    HARRIS, J
    RICE, SA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (02): : 1298 - 1306
  • [43] MONTE-CARLO SIMULATIONS OF PHASE-EQUILIBRIA FOR A LATTICE HOMOPOLYMER MODEL
    MACKIE, AD
    PANAGIOTOPOULOS, AZ
    KUMAR, SK
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (02): : 1014 - 1023
  • [44] MONTE-CARLO LOW-PRESSURE DEPOSITION PROFILE SIMULATIONS
    REY, JC
    CHEN, LY
    MCVITTIE, JP
    SARASWAT, KC
    [J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1991, 9 (03): : 1083 - 1087
  • [45] MONTE-CARLO LATTICE-GAS SIMULATIONS OF STABLE AND UNSTABLE INTERFACES
    HARRIS, R
    JORGENSON, L
    GRANT, M
    [J]. PHYSICAL REVIEW A, 1992, 45 (02): : 1024 - 1034
  • [46] Folding of the human protein FKBP. Lattice Monte-Carlo simulations
    Papandreou, N
    Kanehisa, M
    Chomilier, J
    [J]. COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE III-SCIENCES DE LA VIE-LIFE SCIENCES, 1998, 321 (10): : 835 - 843
  • [47] GLUEBALL MASS FROM VARIANT ACTIONS IN LATTICE MONTE-CARLO SIMULATIONS
    MUTTER, KH
    SCHILLING, K
    [J]. PHYSICS LETTERS B, 1983, 121 (04) : 267 - 271
  • [48] MONTE-CARLO SIMULATIONS IN THE FULLY FRUSTRATED SIMPLE CUBIC ISING LATTICE
    NARITA, Y
    ONO, I
    OGUCHI, T
    [J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1986, 55 (11) : 3778 - 3785
  • [49] MONTE-CARLO SIMULATIONS OF EXCITATION TRANSFER IN A RANDOMLY OCCUPIED CUBIC LATTICE
    HARING, F
    MULLER, E
    WUNSCH, F
    GEBHARDT, W
    [J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (08): : 1691 - 1702
  • [50] QUANTUM MONTE-CARLO SIMULATIONS FOR HIGH-TC MODELS
    MORGENSTERN, I
    VONDERLINDEN, W
    FRICK, M
    DERAEDT, H
    [J]. PHYSICA B, 1990, 163 (1-3): : 641 - 642
12345