Orientational order in simple dipolar fluids: Density-functional theory and absolute-stability conditions

Abstract

The formation of ferroelectric liquid crystals by simple dipolar models is investigated using density-functional theory and absolute-stability analysis. It is emphasized that for such systems well-defined results can only be found by specifying exactly how the long-range dipolar interactions are treated. Explicit formal expressions are derived for mean-reaction-field boundary conditions and these are combined with integral-equation approximations in order to obtain numerical results for fluids of dipolar hard and soft spheres. The calculations predict isotropic-to-ferroelectric nematic transitions in qualitative agreement with computer simulations. The quantitative agreement, however, is rather poor.