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
收藏
页码：2253 / 2260
页数：8
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