2A09 Molecular dynamics simulation of the nematic phase under an external field

Abstract

An isothermal-isobaric molecular dynamics simulation has been performed to understand a mechanism of molecular orientation in an external field. The relaxation behaviour for the director was investigated as a function of strength of the external field. The result was comparable with the theoretical prediction. Moreover, the rotational dynamics during the field-induced alignment process of the nematic phase was discussed using the first- and second-rank orientational time correlation functions.