Influence of dipole-dipole interactions on structural properties of Gay-Berne particles

Abstract

Molecular dynamics simulations were performed for a liquid crystal system composed of the Gay—Berne particles with terminal transverse dipole moments. When the dipole—dipole interactions are weak, the isotropic-smectic transition is observed and the transition point shifts towards lower densities as the dipole moment increases. For higher dipole moments the system shows isotropic structure in the whole range of density, and strong dipole—dipole interactions produce two types of dimers that cannot be accommodated into smectic layers.