GAY-BERNE MIXTURES

R. LUKAC and F.J.VESELY
Computational Physics Group
Institute of Experimental Physics
University of Vienna, Strudlhofgasse 4
A-1090 Vienna
E-mail:LUKAC@Pap.UniVie.AC.AT and
VES@Pap.UniVie.AC.AT

ABSTRACT

The Gay-Berne potential [1] is a useful compromise between a semi-quantitative description of the intermolecular potential of liquid crystal molecules and the effective exploitation of today's computer power.

We study mixtures of molecules of lengths 3.0 and 1.5. A large set of data produced by extensive computer simulations [2] was analyzed by visualization and statistical methods [3]. This report centers on the 'sandwich' structures made up by alternating layers of longer particles forming a smectic phase and shorter molecules that retain an isotropic arrangement even at high pressure.

REFERENCES:

1. J.G.Gay and B.J.Berne, J.Chem.Phys., 74, 3316, (1981)
2. M.P.Allen and D.J.Tildesley: Computer Simulation of Liquids. (Oxford University Press, Oxford, (1990))
3. G.R. Luckhurst and C.A.Veracini: The Molecular Dynamics of Liquid Crystals. (Kluwer Academic Publishers, Dordrecht, (1994))

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