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  • Title: The nematic-isotropic transition of the Lebwohl-Lasher model revisited.
    Author: Skačej G, Zannoni C.
    Journal: Philos Trans A Math Phys Eng Sci; 2021 Jul 12; 379(2201):20200117. PubMed ID: 34024130.
    Abstract:
    We revisited the nematic-isotropic (NI) transition of the Lebwohl-Lasher lattice model with a detailed investigation of samples containing 200 × 200 × 200 particles. The large-scale Monte Carlo (MC) simulations involved were carried out following the standard Metropolis, as well as the cluster MC Wolff algorithms. A notable free-energy barrier was observed between the isotropic and nematic phase, leading to long-lived metastable states and hysteresis. We provide an improved estimate of the nematic-isotropic transition temperature TNI, of the supercooling and superheating temperatures, of the temperature of divergence of pretransitional effects [Formula: see text] as well as an analysis of the size distribution of the ordered domains above TNI, contributing to a better understanding of this transition of key importance for liquid crystals. This article is part of the theme issue 'Topics in mathematical design of complex materials'.
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