Phase diagram of a liquid crystal model: A computer simulation study

Continuous potential models used in computer simulation of liquid crystals are reviewed, paying special attention to the anisotropic Gay-Berne model. This potential model, though phenomenological in nature, has a physical background and is able to reproduce mesogenic behaviour. Results from molecular dynamics simulations are presented here showing the different phases appearing in Gay-Berne fluids made up by molecules with axial ratio 3:1. The effect of the attractive forces in stabilizing the orientationally ordered phases is also studied by performing simulations for a WCA-type Gay-Berne fluid. The dynamics of the fluid is examined, especially the process in the vicinity of the isotropic-nematic transition region