Work

Isotropic–nematic phase transition in the Lebwohl–Lasher model from density of states simulations

Year: 2012

Type: article

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.

Source: The Journal of Chemical Physics

DOI: 10.1063/1.4722209

Authors: Raj Shekhar, Jonathan K. Whitmer, Rohit Malshe, J. A. Moreno-Razo, Tyler F. Roberts, Juan J. de Pablo

Institutions: University of Wisconsin–Madison, Universidad Autónoma Metropolitana

Language: English

Topic: Liquid Crystal Research Advancements

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: U.S. Department of Energy, National Human Genome Research Institute, Basic Energy Sciences

Awards: TAS::89 0222::TAS - FUNCTIONAL, HIERARCHICAL COLLOIDAL LIQUID CRYSTAL GELS AND LIQUID CRYSTAL ELASTOMERS NANOCOMPOSITES, G6016366359, Institutional Training in the Genomic Sciences