The order and polarisation of a system composed of bent polar Gay-Berne molecules

被引：1

作者：

Miyazaki, T

Yamashita, M

机构：

[1] DENSO Corp, Informat Syst Planning Dept, Kariya, Aichi 4488661, Japan

[2] Mie Univ, Fac Engn, Dept Engn Phys, Tsu, Mie 5148507, Japan

来源：

MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 2004年 / 413卷

关键词：

bend molecule; electric polarisation; Gay-Berne model; MD simulation; phase biaxiality;

D O I：

10.1080/15421400490437240

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

NVT molecular dynamics simulation are carried out to study the relation between the molecular shape and dipole moment to the liquid crystalline ordering for a system of coupled Gay-Berne molecules. These are dimers of two types of Gay-Berne particles coupled by a harmonic spring. The appearance of the polarisation and biaxiality together with the location of isotropic-nematic clearing temperature are reported for various combinations of position and direction of the dipole attached to the molecule.

引用

页码：2253 / 2260

页数：8

共 43 条

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