Investigation of liquid crystalline phases by means of constant-pressure molecular-dynamics simulation

被引：17

作者：

Aoki, KM

Akiyama, T

机构：

[1] Department of Chemical Engineering, Shizuoka University 3-5-1 Johoku, Hamamatsu

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：

10.1080/10587259508033556

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

Constant pressure molecular-dynamics (MD) simulations of systems consisting of soft spherocylinders with both translational and orientational freedom are performed to study the behavior of liquid crystalline phases and its transitions. In order to investigate to what extent can the properties known to real liquid crystalline phases be explained by the anisotropy of the shape of the molecules alone, the MD simulation uses purely repulsive short-range pair potentials representing soft spherocylinders. Both the nematic and smectic phases are simulated and the properties of each phase are investigated.

引用

页码：543 / 553

页数：11

共 16 条

[1] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].