Molecular dynamics simulations of discotic liquid crystals using a hybrid Gay–Berne Luckhurst–Romano potential
作者:
M.D. De Luca,
M.P. Neal,
C.M. Care,
期刊:
Liquid Crystals
(Taylor Available online 1994)
卷期:
Volume 16,
issue 2
页码: 257-266
ISSN:0267-8292
年代: 1994
DOI:10.1080/02678299408029150
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
We report the results of the computer simulation of a collection of particles interacting via an anisotropic potential proposed by Luckhurst and Romano and modified by scaling with part of the anisotropic well depth formalism employed by Gay–Berne. Using the molecular dynamics technique for 256 particles in the NVE ensemble, the system is shown to exhibit a variety of mesophases, as the temperature is lowered, and these are provisionally identified as isotropic, discotic nematic, a highly ordered fluid phase with some columnar features and a crystal.
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