화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.480, 202-218, 2008
Influence of dipolar interaction on the molecular dynamics of the dipolar Gay-Berne model GB(3,5,1,2)
We performed a molecular dynamics simulation using the dipolar Gay-Berne model to investigate dynamic properties in nematic and isotropic phases. The Gay Berne mesogenic model GB(3,5,1,2), previously used to investigate static properties and phase formation, was used for analyzing the dynamics. We studied the effect of the central longitudinal dipole moment in a molecule on its translational and rotational motions in the nematic and isotropic phases. In addition, the study investigated the dependence of the dielectric constant, epsilon', outside the cavity in the reaction field method on the static and dynamic properties as well as the order parameters.