Isotropic-nematic Phase Transition in the Lebwohl-Lasher Model from Density of States Simulations

Overview

Journal J Chem Phys

Publisher American Institute of Physics

Specialties Biophysics
Chemistry

Date 2012 Jul 12

PMID 22779602

Citations 1

Authors

Raj Shekhar

Jonathan K Whitmer

Rohit Malshe

J A Moreno-Razo

Tyler F Roberts

Juan J de Pablo

Affiliations

Soon will be listed here.

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.

Citing Articles

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PMID: 33523902 PMC: 7810379. DOI: 10.1126/sciadv.abd1958.

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