Simulation studies of crystal-smectic transition

To obtain the true thermodynamic equilibrium of systems of anisotropic mole cules is difficult because of the complicated potential lanscape. There is a high probability that simulated system may be caught in one of the many l ocal minima. Especially, simulated systems of anisotropic molecules often y ield anisotropic pressure under periodic boundary conditions. The situation is especially critical for high density phases such as crystal and smectic . We discuss how to simulate the thermodynamic equilibrium under hydrostatic pressure, and investigate the properties of crystal-smectic transition.