LIQUID CRYSTAL - MIXTURES WITH THE GAY - BERNE POTENTIAL
R. LUKAC and F.J. VESELY
Computational Physics Group
Institute of Experimental Physics
University of Vienna
Strudlhofgasse 4
A-1090 Vienna
ABSTRACT
We have done Monte Carlo (MC) simulations [1] with N=1000 molecules in a
cubic box, using periodic boundary conditions an
d the nearest image convention. We combined the Gay-Berne potential [2] and
the technique for simulation of mixtures. E
arlier investigations [3,4] were extended from equimolar to other mole
fractions. We analyzed tendencies for mixing or de
mixing by considering the spatial and orientational correlations at
different concentrations. In addition to these struct
ural properties, dynamical correlations in the 2- and 3-dimensional GB fluid
were studied by MD simulation [5,6]. Individ
ual velocity components parallel and perpendicular to the director were
considered separately.