Computer Simulations of Phase Transitions in Liquid Crystals

Computer simulation experiments have played a key role in developing understanding on the structure and properties, and other aspects of liquid crystals. Their impact on science and technology of liquid crystals has been very profound during past few decades. Enormous work has been done in this area. It is not possible to cover them in a single chapter. So, we have limited ourselves to discuss the work carried out in last three decades on the phase transitions in liquid crystals. First, we have focused on the needs and basics of simulations procedures and algorithms for the understanding of subsequent discussions on phase transitions involving various liquid crystalline phases. Various simulation approaches applied to liquid crystals have been discussed. The results for systems interacting with hard- and soft-particles potential models are reviewed with comments. In addition, the results and details of phase transition behavior involving achiral and/or chiral, polymer, and polymer dispersed liquid crystalline mesophases composed of calamitic, disc-shaped and bent-core molecules are presented and discussed in some detail. The Monte Carlo simulation results on the kinetics of phase ordering dynamics together with the analytic relations for the order parameter correlation function and structure factor are presented. The simulation results have shown that the domain growth law is diffusive with a logarithmic correction.