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

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.