スメクティック液晶のせん断流れの2次元分子動力学シミュレーション

抄録

We investigated the effect of shear flow on the molecular orientation and layer structure behaviors of a smectic liquid crystal, using molecular dynamics simulation. The Gay-Berne potential is employed for the molecular interaction between rod-like liquid crystalline molecules, and the shear flow is applied by the SLLOD method. From the simulation results, the layers are perpendicular to the flow direction and the orientation direction of the rod-like molecules is roughly parallel to the flow direction at low shear rate regime. As the increase of the shear rate, the layers tend to be parallel to the flow direction and the tilt angle between the orientation and flow directions becomes large. The further increase in the shear rate causes the breaking of the layer structures.