Nematic-liquid-crystal order-A Monte Carlo calculation

Abstract

The lattice version of the Maier-Saupe model of a nematic liquid crystal, in which all molecules are restricted to be on a simple-cubic lattice with periodic boundary conditions and to interact only with their nearest neighbors through the interaction energy Eij=-ε(32cos2θij-12), is investigated using a Monte Carlo technique. The lattice is found to undergo a first-order phase transition at εkT=0.890±0.005 with a spontaneous order of P2(cosθ)=0.33±0.04 at the transition. © 1972 The American Physical Society.