Liquid crystal nanodroplets in solution

被引：83

作者：

Brown, W. Michael ^{[1
]}

Petersen, Matt K. ^{[1
]}

Plimpton, Steven J. ^{[1
]}

Grest, Gary S. ^{[1
]}

机构：

[1] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2009年 / 130卷 / 04期

关键词：

aggregation; drops; Lennard-Jones potential; liquid theory; molecular dynamics method; nematic liquid crystals; solvent effects; MOLECULAR-DYNAMICS; NEMATIC EMULSIONS;

D O I：

10.1063/1.3058435

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 aggregation of liquid crystal nanodroplets from a homogeneous solution is studied by molecular dynamics simulations. The liquid crystal particles are modeled as elongated ellipsoidal Gay-Berne particles while the solvent is modeled as spherical Lennard-Jones particles. Extending previous studies of Berardi [J. Chem. Phys. 126, 044905 (2007)], we find that liquid crystal nanodroplets are not stable and that after sufficiently long times the nanodroplets always aggregate into a single large droplet. Results describing the droplet shape and orientation for different temperatures and shear rates are presented. The implementation of the Gay-Berne potential for biaxial ellipsoidal particles in a parallel molecular dynamics code is also briefly discussed.

引用

页数：7

共 19 条

[1] Expressions for forces and torques in molecular simulations using rigid bodies [J].