MOLECULAR GRAPHICS AND THE COMPUTER SIMULATION OF LIQUID CRYSTALS

被引：6

作者：

Allen, M. P. ^{[1
]}

机构：

[1] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England

来源：

MOLECULAR SIMULATION | 1989年 / 2卷 / 4-6期

关键词：

Molecular graphics; Liquid crystals; structure; nematic phase; orientational order;

D O I：

10.1080/08927028908034607

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：

Molecular dynamics simulations of systems of hard ellipsoids of revolution have been carried out. Using configurations generated in these simulations, it is shown how molecular graphics can be used to examine the structure within the nematic liquid crystal phase, and close to the isotropic-nematic phase transition. A way of visualizing the degree of orientational order in these systems is presented.

引用

页码：301 / 306

页数：6

共 10 条

[1] COMPUTER-SIMULATION STUDIES OF ANISOTROPIC SYSTEMS .17. THE GAY-BERNE MODEL NEMATOGEN [J].

ADAMS, DJ ;

LUCKHURST, GR ;

PHIPPEN, RW .

MOLECULAR PHYSICS, 1987, 61 (06) :1575-1580

[2]

Allen M.P., 1986, DARESBURY LAB INFORM, V23, P28

[3]

Allen M.P., COMPUT PHYS RE UNPUB

[4] CALCULATION OF LIQUID-CRYSTAL FRANK CONSTANTS BY COMPUTER-SIMULATION [J].

ALLEN, MP ;

FRENKEL, D .

PHYSICAL REVIEW A, 1988, 37 (05) :1813-1816

[5] OBSERVATION OF DYNAMIC PRECURSORS OF THE ISOTROPIC-NEMATIC TRANSITION BY COMPUTER-SIMULATION [J].

ALLEN, MP ;

FRENKEL, D .

PHYSICAL REVIEW LETTERS, 1987, 58 (17) :1748-1750

[6] MONTE-CARLO STUDY OF THE ISOTROPIC AND NEMATIC PHASES OF INFINITELY THIN HARD PLATELETS [J].

EPPENGA, R ;

FRENKEL, D .

MOLECULAR PHYSICS, 1984, 52 (06) :1303-1334

[7] THE HARD ELLIPSOID-OF-REVOLUTION FLUID .1. MONTE-CARLO SIMULATIONS [J].

FRENKEL, D ;

MULDER, BM .

MOLECULAR PHYSICS, 1985, 55 (05) :1171-1192

[8] COMPUTER-SIMULATION OF HARD-CORE MODELS FOR LIQUID-CRYSTALS [J].

FRENKEL, D .

MOLECULAR PHYSICS, 1987, 60 (01) :1-20

[9]

HUBBARD RE, 1985, J MOL GRAPHICS, V3, P12

[10]

Zannoni C., 1979, MOL PHYS LIQUID CRYS, P200

← 1 →