1C05 連結したGay-Berne粒子系の秩序形成(3)(物理・物性)

抄録

NPT molecular dynamics simulations are carried out to study a relation between the molecular shape and flexibility to the liquid crystalline ordering of a system composed of coupled Gay-Berne molecules. The molecule is a dimmer of Gay-Berne particles with different length. As a method of MD, the algorithm for an anisotropic liquid developed by Aoki et al. is utilised. A sequence of isotropic-nematic-smectic phase transitions is observed, in which no unnatural spreading of MD-cell occurs throughout the simulation.