専用計算機を用いた電界印加時における高分子-液晶界面の大規模分子動力学シミュレーション

抄録

We represented the molecular orientation of a liquid crystalline material by large-scaled MD(Molecular Dynamics) simulations. Even at 150 degrees, liquid crystal phase is induced near the surface of rubbed orientation film. As the temperature is lowered, increases in the order parameter near the surface and the thickness of the induced liquid crystal phase are observed. When an electric field is applied to the liquid crystalline material, long axis of each molecule tends to be parallel to the electric field, where the dipole moment of the molecule does not play an important role.