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'.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
