Computer simulation of liquid crystal-mixtures with the Gay-Berne potential

被引：6

作者：

Lukac, R

Vesely, FG

机构：

[1] Computational Physics Group, Institute of Experimental Physics, University of Vienna, Vienna, Strudlhofgasse 4

来源：

MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 1995年 / 262卷

关键词：

D O I：

10.1080/10587259508033555

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

We combined the Gay-Berne potential (with parameters optimized for typical liquid crystals) and the technique for simulation of mixtures. Using the Monte Carlo method, we studied spatial and orientational correlations for equimolar concentration. Preliminary two dimensional (2D) molecular dynamics results on time correlation functions are also presented.

引用

页码：533 / 541

页数：9

共 14 条

[1]

ALLEN MP, 1980, COMPUTER SIMULATION

[2] GAUSSIAN MODEL POTENTIALS FOR MOLECULAR-INTERACTIONS [J].

BERNE, BJ ;

PECHUKAS, P .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (08) :4213-&

[3]

BLASCHKO O, UNPUB

[4] MONTE-CARLO SIMULATION OF 2-DIMENSIONAL HARD ELLIPSES [J].

CUESTA, JA ;

FRENKEL, D .

PHYSICAL REVIEW A, 1990, 42 (04) :2126-2136

[5]

DELUCA MD, 1993, PREPRINT LIQUID CRYS

[6] LIQUID-VAPOR COEXISTENCE OF THE GAY-BERNE FLUID BY GIBBS-ENSEMBLE SIMULATION [J].

DEMIGUEL, E ;

RULL, LF ;

CHALAM, MK ;

GUBBINS, KE .

MOLECULAR PHYSICS, 1990, 71 (06) :1223-1231

[7] LIQUID-CRYSTAL PHASE-DIAGRAM OF THE GAY-BERNE FLUID [J].

DEMIGUEL, E ;

RULL, LF ;

CHALAM, MK ;

GUBBINS, KE .

MOLECULAR PHYSICS, 1991, 74 (02) :405-424

[8] MODIFICATION OF THE OVERLAP POTENTIAL TO MIMIC A LINEAR SITE-SITE POTENTIAL [J].

GAY, JG ;

BERNE, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (06) :3316-3319

[9] THE STATISTICAL MECHANICAL THEORY OF SOLUTIONS .1. [J].

KIRKWOOD, JG ;

BUFF, FP .

JOURNAL OF CHEMICAL PHYSICS, 1951, 19 (06) :774-777

[10] COMPUTER-SIMULATION STUDIES OF ANISOTROPIC SYSTEMS .19. MESOPHASES FORMED BY THE GAY-BERNE MODEL MESOGEN [J].

LUCKHURST, GR ;

STEPHENS, RA ;

PHIPPEN, RW .

LIQUID CRYSTALS, 1990, 8 (04) :451-464

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