A new method for molecular-dynamics simulation of three-dimensional systems invoving rotational motions by means of Langevin dynamics was presented. Lebwohl-lasher model was used to simulate the isotropic-nematic phase transition and isotropic phase of the liquid crystals. It was found that Langevin dynamics recovers well the nematic and isotropic phase of these systems in contrast to previous dynamic approximations.
|Número de páginas
|Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
|Publicada - abr. 2001
|Publicado de forma externa