Phase diagram of a liquid crystal model: A computer simulation study

Luis F. Rull

Physica A: Statistical Mechanics and its Applications, 1995, vol. 220, issue 1, 113-138

Abstract: Continuous potential models used in computer simulation of liquid crystals are reviewed, paying special attention to the anisotropic Gay-Berne model. This potential model, though phenomenological in nature, has a physical background and is able to reproduce mesogenic behaviour. Results from molecular dynamics simulations are presented here showing the different phases appearing in Gay-Berne fluids made up by molecules with axial ratio 3:1. The effect of the attractive forces in stabilizing the orientationally ordered phases is also studied by performing simulations for a WCA-type Gay-Berne fluid. The dynamics of the fluid is examined, especially the process in the vicinity of the isotropic-nematic transition region.

Date: 1995
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:220:y:1995:i:1:p:113-138

DOI: 10.1016/0378-4371(95)00118-Q

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