Three-dimensional rotational Langevin dynamics and the Lebwohl-Lasher model

Abstract:

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.

Año de publicación:

2001

Keywords:

Fuente:

scopus