柱状腔向列相液晶指向矢结构的Monte Carlo模拟

液晶分子被限定在柱状腔内,基于Gruhn-Hess两体势,通过Monte Carlo模拟方法,研究了径向边界条件及温度对柱状腔内向列相液晶PAA的指向矢结构的影响。文中计算了系统平衡后的二阶序参数、轴向序参数、径向序参数、角向序参数和指向矢快照图。在自由表面条件下,液晶分子在与柱轴垂直的面内呈均匀一致排列,而径向锚定作用下,指向矢结构为平面极性结构;在径向锚定作用下,随着锚定强度的增加,液晶分子在与柱状腔轴垂直的面内径向排列有序度增加;温度的变化会改变液晶分子的有序度,但不改变其指向矢结构。

Monte Carlo simulations of nematic liquid crystal director structures confined to cylindrical cavity

Based on modified Gruhn-Hess pair potential, the director structure of nematic liquid crystal PAA molecules which are confined in the cylindrical cavity with radial boundary conditions is studied by Monte Carlo simulation. After the balance of the cylindrical cavity system, we calculated the second order parameters, axial order parameters, radial order parameters, angular order parameters, and snapshots of the director. The results show that the liquid crystal molecules are uniformly aligned in a certain direction in the plane perpendicular to the axis of the cylindrical cavity under the free surface conditions and the director structure is a planar polar structure under the radial anchoring effect. Under the radial anchoring condition, with the increase of anchoring strength, the radial parameters of the liquid crystal molecules are increased. The changing temperature will change the ordering of the liquid crystal molecules, but it does not change its director structure.