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Isotropic-nematic phase transition in the Lebwohl-Lasher model from density of states simulations
Raj Shekhar1, Jonathan K Whitmer, Rohit Malshe
1Department of Chemical and Biological Engineering, University of Wisconsin, Madison, Wisconsin 53706-1691, USA.
Abstract:
Density of states Monte Carlo simulations have been performed to study the isotropic-nematic (IN) transition of the Lebwohl-Lasher model for liquid crystals. The IN transition temperature was calculated as a function of system size using expanded ensemble density of states simulations with histogram reweighting. The IN temperature for infinite system size was obtained by extrapolation of three independent measures. A subsequent analysis of the kinetics in the model showed that the transition occurs via spinodal decomposition through aggregation of clusters of liquid crystal molecules.
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