Computer simulation studies of anisotropic systems XIX: mesophases formed by the Gay-Berne model mesogen
Computer simulation studies of anisotropic systems XIX: mesophases formed by the Gay-Berne model mesogen
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.
fluids, liquid-crystals
451-464
Luckhurst, G.R.
7807d1c6-54a1-414f-9abe-22de4d9c30f7
Stephens, R.A.
67427234-b712-44b3-afe3-306c68160875
Phippen, R.W.
699495b8-8c0d-4b32-87c5-3117fa823b6a
1991
Luckhurst, G.R.
7807d1c6-54a1-414f-9abe-22de4d9c30f7
Stephens, R.A.
67427234-b712-44b3-afe3-306c68160875
Phippen, R.W.
699495b8-8c0d-4b32-87c5-3117fa823b6a
Luckhurst, G.R., Stephens, R.A. and Phippen, R.W.
(1991)
Computer simulation studies of anisotropic systems XIX: mesophases formed by the Gay-Berne model mesogen.
Liquid Crystals, 8, .
(doi:10.1080/02678299008047361).
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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Published date: 1991
Keywords:
fluids, liquid-crystals
Organisations:
Chemistry
Identifiers
Local EPrints ID: 54217
URI: http://eprints.soton.ac.uk/id/eprint/54217
ISSN: 1366-5855
PURE UUID: 9556515e-0c1e-4332-8cd4-828e7c3dc53d
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Date deposited: 31 Jul 2008
Last modified: 15 Mar 2024 10:45
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Author:
G.R. Luckhurst
Author:
R.A. Stephens
Author:
R.W. Phippen
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