Cage effects in the orientational dynamics of a Gay-Berne mesogen

The dynamical features of a Gay-Beme mesogen have been investigated through an analysis of molecular dynamics simulation data. The cage potential conf ining instantaneously the orientational motion of the molecules, for both t he isotropic and nematic phases have been defined and parameterised. The st atistical analysis of the data obtained from the MD simulations show that n o significant differences exist in the local structural and dynamical prope rties of the cage in the isotropic and nematic phases, but that a clear dep endence of the cage potential does exist with respect to its orientation in the nematic phase.