Three-dimensional rotational Langevin dynamics and the Lebwohl-Lasher model Auteur(s): Goze-Bac C., Paredes R, Vasquez C, Medina E, Hasmy A (Article) Publié: Physical Review E: Statistical, Nonlinear, And Soft Matter Physics, vol. 63 p.042701 (2001) Résumé: We introduce a new scheme for molecular-dynamics simulation of three-dimensional systems exhibiting rotational motions. The procedure is based on the Langevin dynamics method. Our paper is focused on the Lebwohl-Lasher model in order to simulate the isotropic-nematic transition of liquid crystals. In contrast to previous dynamic approximations, our approach allows one to reproduce well the isotropic phase of these systems. |