Monte Carlo simulations using the dipolar Gay-Berne model: effect of terminal dipole moment on mesophase formation

The effects of dipole-dipole interaction on mesophase formation are investigated with a Monte Carlo simulation using the dipolar Gay-Berne potential. It is shown that the dipole moment at the end of a molecule causes a shift in the nematic-isotropic transition toward higher temperature and a spread of the temperature range of the nematic phase and that layer structures with various interdigitations are formed in the smectic phase.