Investigations on Liquid Crystal Phases of Polarized Rod-Like Molecules by Numerical Simulations

Abstract

When the ferro- or anti-ferro-electric phase appears in the smectic (Sm) phase, their intrinsic electric dipole moments are expected to align parallel in the identical Sm layer. By MC simulations in the Sm phase we have investigated on ordering of dipole moments of rod-like molecules. It is assumed that a molecule is composed linearly of five hard-spheres and its dipole moment is perpendicular to the long axis of molecule. Dipole-dipole interactions between dipoles in addition to hard interactions between molecules are assumed. As results, even at the lowest temperature the orientation of dipoles has been shown not to be parallel in the identical Sm layer. So we have concluded that the assembly of linear rod-like molecules with a perpendicular dipole never exhibit ferro- or anti ferro-electric phase due to dipole-dipole interaction in the Sm phase.