2A08 分子動力学法による液晶N-I相転移温度の精密決定 : モデル分子を対象として(物理・物性)

抄録

A molecular-dynamics computer simulation method is proposed for the accurate determination of the nematic-isotropic transition temperature of computational model mesogens. The method uses partially ordered mesogen molecules as transition facilitating agents. The method is successfully applied to a Lennard-Jones 5 site mesogen proposed previosly.