Cheung, David L., Anton, Lucian, Allen, Michael P. and Masters, Andrew J. (2008) Computer simulation of liquids and liquid crystals. In: Conference on Computational Physics, Brussels, Belgium, 5th-8th Sep 2007. Published in: Computer Physics Communications, Vol.179 (No.1-3). pp. 61-65.

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Abstract

Monte Carlo simulations of a variety of hard-particle liquids and liquid mixtures have been conducted in the isotropic liquid region of the phase diagram. The position- and orientation-dependent pairwise structure is computed and the results are compared with integral equation theories, allowing us to examine the closure relations, and evaluate their accuracy, in a direct fashion. The equation of state and stability properties of these phases relative to the nematic liquid crystal phase, are also discussed. (C) 2008 Elsevier B.V. All rights reserved.

Item Type:	Conference Item (Paper)
Subjects:	Q Science > QA Mathematics > QA76 Electronic computers. Computer science. Computer software Q Science > QC Physics Q Science > QD Chemistry
Divisions:	Faculty of Science > Chemistry Faculty of Science > Physics
Journal or Publication Title:	Computer Physics Communications
Publisher:	Elsevier Science BV
ISSN:	0010-4655
Date:	July 2008
Volume:	Vol.179
Number:	No.1-3
Number of Pages:	5
Page Range:	pp. 61-65
Identification Number:	10.1016/j.cpc.2008.01.029
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Conference Paper Type:	Paper
Title of Event:	Conference on Computational Physics
Type of Event:	Conference
Location of Event:	Brussels, Belgium
Date(s) of Event:	5th-8th Sep 2007
URI:	http://wrap.warwick.ac.uk/id/eprint/29727

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