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

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  • Rull, Luis F.

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.

Suggested Citation

  • Rull, Luis F., 1995. "Phase diagram of a liquid crystal model: A computer simulation study," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 220(1), pages 113-138.
    • Handle: RePEc:eee:phsmap:v:220:y:1995:i:1:p:113-138
    DOI: 10.1016/0378-4371(95)00118-Q
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    1. Giarritta, S.Prestipino & Ferrario, M. & Giaquinta, P.V., 1993. "Statistical geometry of hard particles on a sphere: analysis of defects at high density," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 201(4), pages 649-665.
    2. de Miguel, Enrique & Rull, Luis F. & Gubbins, Keith E., 1991. "Effect of molecular elongation on liquid-vapour properties: computer simulation and virial approximation," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 177(1), pages 174-181.
    3. André Decoster & Anne Vleminckx, 1983. "De financiele situatie van werklozen," Brussels Economic Review, ULB -- Universite Libre de Bruxelles, vol. 98, pages 167-192.
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    Cited by:

    1. Steuer, Haiko & Hess, Siegfried & Schoen, Martin, 2003. "Pressure, alignment and phase behavior of a simple model liquid crystal. A Monte Carlo simulation study," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 328(3), pages 322-334.

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