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  • Title: Isotropic-nematic phase transition in the Lebwohl-Lasher model from density of states simulations.
    Author: Shekhar R, Whitmer JK, Malshe R, Moreno-Razo JA, Roberts TF, de Pablo JJ.
    Journal: J Chem Phys; 2012 Jun 21; 136(23):234503. PubMed ID: 22779602.
    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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