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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. ISSN 0010-4655. doi:10.1016/j.cpc.2008.01.029
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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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