Pressure, alignment and phase behavior of a simple model liquid crystal. A Monte Carlo simulation study

Haiko Steuer, Siegfried Hess and Martin Schoen

Physica A: Statistical Mechanics and its Applications, 2003, vol. 328, issue 3, 322-334

Abstract: Monte Carlo simulations for a simple model for liquid crystals in the bulk are presented. The model potential describes the anisotropy of the particles in the attractive part of the Lennard Jones-like pair interaction. Isotherms were calculated with constant-volume and constant-pressure simulations. Comparison with previously presented analytical calculations show a good agreement for high temperatures. Isochores for two different densities were calculated. A nematic phase is observed, often metastable. By decreasing the temperature further, we get a phase transition to a layered phase where the system shows a crystalline structure. In the heating process the nematic phase is very narrow, so we have a nearly monotropic nematic phase.

Keywords: Liquid crystals; Microscopic model; Monte Carlo; Phase transition (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:328:y:2003:i:3:p:322-334

DOI: 10.1016/S0378-4371(03)00547-8

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