MONTE-CARLO INVESTIGATIONS OF A GAY-BERNE LIQUID-CRYSTAL

被引：195

作者：

BERARDI, R ^{[1
]}

EMERSON, APJ ^{[1
]}

ZANNONI, C ^{[1
]}

机构：

[1] UNIV BOLOGNA,DIPARTIMENTO CHIM FIS & INORGAN,I-40136 BOLOGNA,ITALY

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1993年 / 89卷 / 22期

关键词：

D O I：

10.1039/ft9938904069

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 extensive Monte Carlo simulations of two systems with 512 and 1000 particles interacting with a Gay-Berne potential with strength parameters (mu = 1, nu = 3) that enhance the side-by-side and end-to-end interactions between the particles. We show that the system has a smectic, nematic and isotropic phase and we calculate the order parameters < P-2 >, < P-4 >, the intermolecular vector distribution and other relevant observables as a function of temperature at a scaled density p(*) = 0.30.

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页码：4069 / 4078

页数：10

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