Constant surface-tension molecular-dynamics simulation methods for anisotropic systems

被引:11
|
作者
Aoki, KM
Yoneya, M
Yokoyama, H
机构
[1] JST, Tsukuba Res Consortium, Yokohama Nanostruct Liquid Crystal Project, Tsukuba, Ibaraki 3002635, Japan
[2] AIST, Nanotechnol Res Inst, Tsukuba, Ibaraki 3058565, Japan
[3] Yokohama Nanostruct Liquid Crystal Project, JST, Tsukuba Res Consortium, Tsukuba, Ibaraki 3002635, Japan
来源
JOURNAL OF CHEMICAL PHYSICS | 2006年 / 124卷 / 06期
关键词
D O I
10.1063/1.2166371
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We propose a simulation method for liquid-liquid interface under constant surface tension and constant normal pressure. The method introduces an anisotropic factor in the cell dynamics which avoids artifacts such as continuous expansion or contraction of the cell lengths. This allows simulation of a full range of surface tensions including when the value is 0, i. e, hydrostatic pressure. (c) 2006 American Institute of Physics.
引用
收藏
页数:7
相关论文
共 50 条
  • [1] MOLECULAR-DYNAMICS OF THE SURFACE-TENSION OF A DROP
    NIJMEIJER, MJP
    BRUIN, C
    VANWOERKOM, AB
    BAKKER, AF
    VANLEEUWEN, JMJ
    JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (01): : 565 - 576
  • [2] MOLECULAR-DYNAMICS SIMULATION OF THE ORTHOBARIC DENSITIES AND SURFACE-TENSION OF WATER
    ALEJANDRE, J
    TILDESLEY, DJ
    CHAPELA, GA
    JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (11): : 4574 - 4583
  • [3] MOLECULAR-DYNAMICS OF THE SURFACE-TENSION OF A DROP - COMMENT
    BRODSKAYA, EN
    RUSANOV, AI
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (10): : 7844 - 7844
  • [4] MOLECULAR-DYNAMICS OF THE SURFACE-TENSION OF A DROP - RESPONSE
    NIJMEIJER, MJP
    BRUIN, C
    VANLEEUWEN, JMJ
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (10): : 7845 - 7845
  • [5] MOLECULAR-DYNAMICS STUDY OF THE CURVATURE CORRECTION TO THE SURFACE-TENSION
    HAYE, MJ
    BRUIN, C
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (01): : 556 - 559
  • [6] GROWTH DYNAMICS WITH AN ANISOTROPIC SURFACE-TENSION
    SIEGERT, M
    PHYSICAL REVIEW A, 1990, 42 (10): : 6268 - 6269
  • [7] SURFACE-TENSION AREA ISOTHERMS OF A DPPC BILAYER AND MONOLAYER FROM MOLECULAR-DYNAMICS COMPUTER-SIMULATION
    FELLER, SE
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 210 : 19 - COLL
  • [8] INTERFACE DYNAMICS UNDER THE ANISOTROPIC SURFACE-TENSION
    ENOMOTO, Y
    KAWASAKI, K
    OHTA, T
    OHTA, S
    PHYSICS LETTERS A, 1985, 107 (07) : 319 - 323
  • [9] CALCULATION OF SURFACE-TENSION IN BENZENE CYCLOHEXANE MIXTURES FROM MOLECULAR-DYNAMICS SIMULATIONS
    MATTIES, MA
    HENTSCHKE, R
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 287 - PHYS
  • [10] INCORPORATION OF SURFACE-TENSION INTO MOLECULAR-DYNAMICS SIMULATION OF AN INTERFACE - A FLUID-PHASE LIPID BILAYER-MEMBRANE
    CHIU, SW
    CLARK, M
    BALAJI, V
    SUBRAMANIAM, S
    SCOTT, HL
    JAKOBSSON, E
    BIOPHYSICAL JOURNAL, 1995, 69 (04) : 1230 - 1245