COMPUTER SIMULATIONS ON LAYER FORMATION IN
TWO-COMPONENT GAY-BERNE FLUIDS

R. LUKAC and F.J.VESELY;
Computational Physics Group, Institute of Experimental Physics,
University of Vienna, Strudlhofgasse 4,
A-1090 Vienna
With increasing CPU power the computer simulations of liquid crystals - and their mixtures - on the molecular level are ever more relevant. We report investigations on the influence of the density on the structure of a mixture with elongations 3 and 1.5. The isotropic - smectic transition for such a mixture gives rise to very interesting 'sandwich' layers with shorter particles still in the isotropic phase, while the longer molecules form a smectic phase.

Monte Carlo simulations on 1000 particles have been done at a constant temperature. Systems were slowly compressed and decompressed. Results include various statistical and thermodynamic quantities. Visualizations of the layering phenomenon are presented.

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Renato Lukac
1999-10-24