PHASE DIAGRAM OF A LIQUID-CRYSTAL MODEL - A COMPUTER-SIMULATION STUDY

Continuous potential models used in computer simulation of liquid crys tals are reviewed, paying special attention to the anisotropic Gay-Ber ne model. This potential model, though phenomenological in nature, has a physical background and is able to reproduce mesogenic behaviour. R esults from molecular dynamics simulations are presented here showing the different phases appearing in Gay-Berne fluids made up by molecule s with axial ratio 3:1. The effect of the attractive forces in stabili zing 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-n ematic transition region.