ATOMIC-DETAIL SIMULATION STUDIES OF SMECTIC LIQUID-CRYSTALS

被引：16

作者：

GLASER, MA

MALZBENDER, R

CLARK, NA

WALBA, DM

机构：

[1] UNIV COLORADO,DEPT CHEM & BIOCHEM,BOULDER,CO 80309

[2] FOM,INST ATOM & MOLEC PHYS,1098 SJ AMSTERDAM,NETHERLANDS

来源：

MOLECULAR SIMULATION | 1995年 / 14卷 / 4-5期

基金：

美国国家科学基金会;

关键词：

SMECTIC LIQUID CRYSTALS; TBBA;

D O I：

10.1080/08927029508022028

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 report on large-scale simulation studies of realistic (atomic-detail) models for smectic liquid crystals. Preliminary results obtained for the smectic A phase of TBBA are described in detail. Although significant obstacles must be overcome before atomic-detail simulations can yield reliable quantitative predictions of liquid crystalline properties, our results demonstrate that such simulations can provide Valuable insight into the molecular basis of liquid crystalline behavior.

引用

页码：343 / 360

页数：18

共 21 条

[1] MOLECULAR MECHANICS (MM3) STUDIES OF CARBOXYLIC-ACIDS AND ESTERS [J].