Self-assembled structures of Gaussian nematic particles

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