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Computer simulation of liquids and liquid crystals
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Cheung, David L., Anton, Lucian, Allen, M. 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. doi:10.1016/j.cpc.2008.01.029 ISSN 0010-4655.
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Official URL: http://dx.doi.org/10.1016/j.cpc.2008.01.029
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) | ||||
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Subjects: | Q Science > QA Mathematics > QA76 Electronic computers. Computer science. Computer software Q Science > QD Chemistry |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics |
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Library of Congress Subject Headings (LCSH): | Molecular dynamics -- Computer simulation, Integral equations, Monte Carlo method | ||||
Journal or Publication Title: | Computer Physics Communications | ||||
Publisher: | Elsevier Science BV | ||||
ISSN: | 0010-4655 | ||||
Official Date: | July 2008 | ||||
Dates: |
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Volume: | Vol.179 | ||||
Number: | No.1-3 | ||||
Number of Pages: | 5 | ||||
Page Range: | pp. 61-65 | ||||
DOI: | 10.1016/j.cpc.2008.01.029 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access | ||||
Funder: | Engineering and Physical Sciences Research Council (EPSRC) | ||||
Grant number: | GR/S77240 and GR/S77103 (EPSRC) | ||||
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 |
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