Computer simulations of soft repulsive spherocylinders

被引：52

作者：

Earl, DJ ^{[1
]}

Ilnytskyi, J ^{[1
]}

Wilson, MR ^{[1
]}

机构：

[1] Univ Durham, Dept Chem, Durham DH1 3LE, England

来源：

MOLECULAR PHYSICS | 2001年 / 99卷 / 20期

关键词：

D O I：

10.1080/00268970110069551

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：

Computer simulations of systems of soft repulsive spherocylinders (SRS) of aspect ratio (L/D) equal to 4 have been carried out using the parallel molecular dynamics program GBMOLDD. At sufficiently high densities the system forms stable nematic and smectic-A liquid crystalline phases. Results are presented for a series of seven isochores in the NVE ensemble, and for isobars at T* = kT/epsilon = 0,5; 1.0; 1.5 in the NpT ensemble.

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页码：1719 / 1726

页数：8

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