Multicanonical Markov chain Monte Carlo simulation of nematic-isotropic phase transition in liquid crystals

Abstract

Temperature driven first order transition from isotropic to nematic phase in liquid crystals with and without random and quenched orientational disorder is investigated employing multicanonical Monte Carlo simulation. A lattice model with periodic boundary conditions is employed with the pair wise interaction of two nearest neighbor liquid crystal molecules given by the Lebwohl-Lasher potential. The transition temperature decreases with increase of disorder; also the transition appears to soften under strong disorder.