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基于第四维里密度泛函理论对硬直角三角形液晶相行为的预测。

Prediction of the liquid-crystal phase behavior of hard right triangles from fourth-virial density-functional theories.

作者信息

Velasco Enrique, Martínez-Ratón Yuri

机构信息

Departamento de Física Teórica de la Materia Condensada, Instituto de Física de la Materia Condensada (IFIMAC) and Instituto de Ciencia de Materiales Nicolás Cabrera, Universidad Autónoma de Madrid, E-28049, Madrid, Spain.

Grupo Interdisciplinar de Sistemas Complejos (GISC), Departamento de Matemáticas, Escuela Politécnica Superior, Universidad Carlos III de Madrid, Avenida de la Universidad 30, E-28911, Leganés, Madrid, Spain.

出版信息

Phys Rev E. 2023 Jul;108(1-1):014603. doi: 10.1103/PhysRevE.108.014603.

Abstract

We have used an extended scaled-particle theory that incorporates four-body correlations through the fourth-order virial coefficient to analyze the orientational properties of a fluid of hard right isosceles triangles. This fluid has been analyzed by computer simulation studies, with clear indications of strong octatic correlations present in the liquid-crystal phase, although the more symmetric order tetratic phase would seem to be the most plausible candidate. Standard theories based on the second virial coefficient are unable to reproduce this behavior. Our extended theory predicts that octatic correlations, associated to a symmetry under global rotations of the oriented fluid by 45^{∘}, are highly enhanced, but not enough to give rise to a thermodynamically stable phase with strict octatic symmetry. We discuss different scenarios to improve the theoretical understanding of the elusive octatic phase in this intriguing fluid.

摘要

我们使用了一种扩展的标度粒子理论,该理论通过四阶维里系数纳入四体关联,以分析硬直角等腰三角形流体的取向特性。此前已通过计算机模拟研究对这种流体进行了分析,结果清楚地表明在液晶相中存在强八次关联,尽管更对称的四次有序相似乎是最合理的候选相。基于第二维里系数的标准理论无法重现这种行为。我们的扩展理论预测,与取向流体绕全局旋转45°时的对称性相关的八次关联会大大增强,但不足以产生具有严格八次对称性的热力学稳定相。我们讨论了不同的情形,以增进对这种有趣流体中难以捉摸的八次相的理论理解。

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