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arXiv · 2305.08545

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

Enrique Velasco·Yuri Martinez-Raton
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Abstract

We have used an extended Scaled-Particle Theory that incorporates four-body correlations through the fourth-order virial coefficient to analyse the orientational properties of a fluid of hard right-angle triangles. This fluid has been analysed 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 behaviour. Our extended theory predicts that octatic correlations, associated to a symmetry under global rotations of the oriented fluid by $45^{\circ}$, 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.

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Enrique Velasco, Yuri Martinez-Raton. 2023-05-15. Prediction of the liquid-crystal phase behavior of hard right triangles from fourth-virial density-functional theories. https://doi.org/10.1103/physreve.108.014603

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