Computer simulation of liquid crystal films

Abstract

In this paper we present a computer simulation study of thin film behaviour performed using the Lebwohl-Lasher liquid crystal model. In this, we study systems with a slab geometry of L parallel planes. We have measured the shifts in the bulk transition temperature that result from variation both of L and of an aligning surface field ϵ_s. From these, we have used a Kelvin-like equation to calculate the nematic-isotropic surface tension. We have also investigated the nature of the shifted bulk transition in these thin film systems. From detailed comparison of energy distribution functions, we have found that the ϵ_s = 0 system has a critical thickness, 8 < L _c < 16, below which there is no bulk transition. We note that mean field theories fail to predict this critical point and suggest that its cause is related to the pretransitional divergence in orientational correlations seen at the bulk 3d transition.