Self-assembled structures of Gaussian nematic particles

Abstract

We investigate the stable crystalline configurations of a nematic liquid crystal made ofsoft parallel ellipsoidal particles interacting via a repulsive, anisotropic Gaussianpotential. For this purpose, we use genetic algorithms (GA) in order to predictall relevant and possible solid phase candidates into which this fluid can freeze.Subsequently we present and discuss the emerging novel structures and the resultingzero-temperature phase diagram of this system. The latter features a variety of crystallinearrangements, in which the elongated Gaussian particles in general do not alignwith any one of the high-symmetry crystallographic directions, a compromisearising from the interplay and competition between anisotropic repulsions andcrystal ordering. Only at very strong degrees of elongation does a tendency of theGaussian nematics to align with the longest axis of the elementary unit cell emerge.