Constant pressure molecular dynamics simulations of the crystal–smectic transition in systems of soft parallel spherocylinders as a model for liquid crystals
作者:
KeikoM. Aoki,
Fumiko Yonezawa,
期刊:
Liquid Crystals
(Taylor Available online 1993)
卷期:
Volume 14,
issue 4
页码: 1237-1242
ISSN:0267-8292
年代: 1993
DOI:10.1080/02678299308027833
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
We present the results of constant pressure molecular dynamics simulation under hydrostatic pressure for soft parallel spherocylinders. A clear first order transition from crystal to smectic phase is observed. The anisotropy of the molecular volume plays an important role in this transition. We study the anisotropy of the diffusion process in the smectic phase by the mean-square displacement in each direction. Also the structures before and after the transition are analysed by means of the pair distribution functions.
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