论文标题
列液晶的计算分子场理论
Computational molecular field theory for nematic liquid crystals
论文作者
论文摘要
列液晶体表现出构型，其中基础秩序在宏观长度尺度上明显变化。这些结构包括列在列相位的拓扑缺陷和近视共存内的触觉。我们讨论了一项基于单轴列液晶的Maier-Saupe分子模型的现场理论扩展的不均匀构型的计算研究。张量顺序参数定义为方向概率分布的第二刻，导致自由能在各向同性纽扣共存区域内不凸，如果订单参数的特征值成为非物理的特征值，则会将其输入无限。在一个维度上为各向同性纽扣界面，二维的触觉和二维的列表披露提供了顺序参数的空间轮廓的计算。我们将我们的结果与Landau de-de-de-de-gennes自由能提供的结果进行比较，并讨论了这种模型比后者的优势。
Nematic liquid crystals exhibit configurations in which the underlying ordering changes markedly on macroscopic length scales. Such structures include topological defects in the nematic phase and tactoids within nematic-isotropic coexistence. We discuss a computational study of inhomogeneous configurations that is based on a field theory extension of the Maier-Saupe molecular model of a uniaxial, nematic liquid crystal. A tensor order parameter is defined as the second moment of an orientational probability distribution, leading to a free energy that is not convex within the isotropic-nematic coexistence region, and that goes to infinity if the eigenvalues of the order parameter become non-physical. Computations of the spatial profile of the order parameter are presented for an isotropic-nematic interface in one dimension, a tactoid in two dimensions, and a nematic disclination in two dimensions. We compare our results to those given by the Landau de-Gennes free energy for the same configurations and discuss the advantages of such a model over the latter.
