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Liquid Crystals Volume 8, 1990 - Issue 4
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Original Articles

Computer simulation studies of anisotropic systems. XIX. Mesophases formed by the Gay-Berne model mesogen

G. R. Luckhurst Department of Chemistry, The University, Southampton, SO9 5NH, England
,
R. A. Stephens Department of Chemistry, The University, Southampton, SO9 5NH, England
&
R. W. Phippen BM UK Scientific Centre, Athelstan House, St. Clement Street, Winchester, SO23 9DR, England
Pages 451-464 | Received 09 Mar 1990, Accepted 09 May 1990, Published online: 05 Oct 2006
 
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Abstract

We report the results of a molecular dynamics computer simulation of particles interacting via the Gay-Berne potential with parameters selected to approximate those of mesogenic molecules. The system was found to form a variety of mesophases as the temperature was lowered. We have characterized these phases with the aid of computer graphics techniques to visualize the molecular organization within configurations taken from the production stage of the simulations. The phases have been identified, on the basis of such images, as isotropic, nematic, smectic A, smectic B and crystal.

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