Simulating Phase Transitions in Binary Liquid Crystal Films

Abstract

Liquid crystals (LC) are often subject to external orienting forces, arising either from applied fields or from surface anchoring. The molecular simulation of such systems is an important step towards the prediction of real LC behavior. Recently some progress has been made regarding the simulation of LC models, both in confined spaces (slabs, films) and under the influence of aligning torques. We present Monte Carlo (MC) simulations of Gay-Berne (ellipsoidal) model particles. The present article deals with a binary system of such molecules confined between two walls. Simulations were performed in 3 dimensions. The results are presented as structure visualizations and in the plot of the order parameter.

Key Words:

• liquid crystal film
• Gay-Berne potential
• binary equimolar mixture