Isotropic-nematic phase transition in the Lebwohl-Lasher model from density of states simulations.
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.
Department of Chemical and Biological Engineering, University of Wisconsin, Madison, Wisconsin 53706-1691, USA.
Raj
R
Shekhar
Jonathan K
JK
Whitmer
Rohit
R
Malshe
J A
JA
Moreno-Razo
Tyler F
TF
Roberts
Juan J
JJ
de Pablo