Reaction field and Ewald summation study of mesophase formation in dipolar Gay-Berne model

被引：49

作者：

Houssa, M ^{[1
]}

Oualid, A ^{[1
]}

Rull, LF ^{[1
]}

机构：

[1] Univ Seville, Dept Fis Atom Mol & Nucl, Seville 41080, Spain

来源：

MOLECULAR PHYSICS | 1998年 / 94卷 / 03期

关键词：

D O I：

10.1080/00268979809482336

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：

The phase transitions exhibited by systems described by the Gay-Berne model are studied when dipole-dipole interactions are present. The system presents only an isotropic-smectic B transition at the reduced temperature T* = 1.25, whereas in the absence of dipolar interactions the system has isotropic-nematic-smectic B phases for the same temperature. The simulations were carried out with different simulation procedures, showing that Monte Carlo in the NpT ensemble with the reaction field is the most convenient.

引用

页码：439 / 446

页数：8

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