Gorkunov M V, Osipov M A, Kocot A, Vij J K
Department of Electronic and Electrical Engineering, Trinity College Dublin, Dublin 2, Ireland.
Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Jun;81(6 Pt 1):061702. doi: 10.1103/PhysRevE.81.061702. Epub 2010 Jun 11.
Relative stability of uniaxial and biaxial nematic phases is analyzed in a model nematic liquid crystal composed of flat molecules of C2h symmetry with four mesogenic groups rigidly linked to the same center. The generalized effective quadrupole mean-field potential is proposed and its constants are evaluated numerically for the pair intermolecular potential based on Gay-Berne interaction between mesogenic groups. The dependencies of the constants on molecular shape parameters are systematically analyzed. Order parameters of the uniaxial and biaxial nematic phases are evaluated by direct minimization of the free energy at different temperatures. The corresponding phase diagrams are obtained enabling one to study the effects of molecular model parameters on the stability regions of uniaxial and biaxial phases. The results are used to clarify the nature of experimentally observed biaxial ordering in nematic liquid crystals composed of tetrapode molecules with the same symmetry.
在一个由具有C2h对称性的扁平分子组成的向列型液晶模型中,分析了单轴和双轴向列相的相对稳定性,这些扁平分子有四个介晶基团刚性连接到同一个中心。提出了广义有效四极平均场势,并基于介晶基团之间的盖伊 - 伯尔尼相互作用,对其常数进行了数值评估,用于分子间相互作用势。系统地分析了这些常数对分子形状参数的依赖性。通过在不同温度下直接最小化自由能来评估单轴和双轴向列相的序参量。获得了相应的相图,从而能够研究分子模型参数对单轴和双轴相稳定性区域的影响。这些结果用于阐明在具有相同对称性的四脚分子组成的向列型液晶中实验观察到的双轴有序的本质。