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Effect of shape biaxiality on the phase behavior of colloidal liquid-crystal monolayers

机译:形状双轴性对胶态液晶单层相行为的影响

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摘要

We extend our previous work on monolayers of uniaxial particles [J. Chem. Phys., 2014, 140, 204906] to study the effect of particle biaxiality on the phase behavior of liquid-crystal monolayers. Particles are modelled as board-like hard bodies with three different edge lengths sigma(1) >= sigma(2) >= sigma(3), and the restricted-orientation approximation (Zwanzig model) is used. A density-functional formalism based on the fundamental-measure theory is used to calculate phase diagrams for a wide range of values with the largest aspect ratio kappa(1) = sigma(1)/sigma(3) is an element of [1,100]. We find that particle biaxiality in general destabilizes the biaxial nematic phase already present in monolayers of uniaxial particles. While plate-like particles exhibit strong biaxial ordering, rod-like ones with kappa(1) > 21.34 exhibit reentrant uniaxial and biaxial phases. As particle geometry is changed from uniaxial- to increasingly biaxial-rod-like, the region of biaxiality is reduced, eventually ending in a critical-end point. For kappa(1) > 60, a density gap opens up in which the biaxial nematic phase is stable for any particle biaxiality. Regions of the phase diagram, where packing-fraction inversion occurs (i.e. packing fraction is a decreasing function of density), are found. Our results are compared with the recent experimental studies on nematic phases of magnetic nanorods.
机译:我们将先前的工作扩展到单轴颗粒的单层[J.化学[Phys。,2014,140,204906],研究颗粒双轴性对液晶单层相行为的影响。粒子被建模为具有三个不同边缘长度sigma(1)> = sigma(2)> = sigma(3)的板状硬体,并使用了受限方向近似(Zwanzig模型)。基于基本度量理论的密度泛函形式主义用于计算宽范围值的相位图,其中长宽比kappa(1)= sigma(1)/ sigma(3)是[1,100]的元素。我们发现粒子双轴性通常会破坏单轴粒子单层中已经存在的双轴向列相。板状颗粒表现出强的双轴有序性,而kappa(1)> 21.34的棒状颗粒表现出可折返的单轴和双轴相。随着粒子的几何形状从单轴杆状变为越来越多的双轴杆状,双轴性区域减小,最终在临界点结束。当kappa(1)> 60时,会出现密度差,其中双轴向列相对于任何颗粒双轴性都是稳定的。找到了发生堆积分数反演的相图区域(即堆积分数是密度的下降函数)。我们的结果与磁性纳米棒的向列相的最新实验研究进行了比较。

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