COMPUTER-SIMULATION OF AN UNCONFINED LIQUID-CRYSTAL FILM

We present results from a molecular dynamics simulation of an unconfin ed Gay-Berne film in equilibrium with its own saturated vapor. The par ametrization and temperature range used are based upon the results of preliminary Gibbs ensemble investigations, which show the existence of bulk liquid-vapor and nematic-vapor coexistence. This parametrization is found to induce a preferred molecular alignment in the nematic fil m perpendicular to the liquid-vapor interface, in contrast to work on similar systems showing planar alignment. At slightly higher temperatu res the nematic phase is wet by the isotropic, displaying an intermedi ate ordering regime in which the film is comprised of several short-li ved nematic domains. This behavior has been analyzed using orientation al correlation functions, and shown to be associated with a decoupling of the planar and perpendicular nematic ordering. The interfacial sur face tension behavior has also been evaluated, and shown to be consist ent with theoretical predictions for systems displaying isotropic wett ing.