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    Structural crossovers of quasi-one-dimensional patchy hard superellipses

    Sakineh Mizani* and Martin Oettel†

    Péter Gurin‡ and Szabolcs Varga§

    • Physics Department, Centre for Natural Sciences, University of Pannonia, P. O. Box 158, H-8201 Veszprém, Hungary

    • *Contact author: sakineh.mizani@mnf.uni-tuebingen.de
    • †Contact author: martin.oettel@uni-tuebingen.de
    • ‡Contact author: gurin.peter@mk.uni-pannon.hu
    • §Contact author: varga.szabolcs@mk.uni-pannon.hu

    Phys. Rev. E 114, 035431 – Published 24 September, 2026

    DOI: https://doi.org/10.1103/1fdp-zwlm

    Abstract

    We study a quasi-one-dimensional associating fluid composed of hard superellipses carrying two patches interacting through a directional Kern-Frenkel potential. Using the transfer operator method, we show that the selective patch-patch association promotes horizontal alignment and chain formation at low-to-intermediate densities, whereas hard-core interaction favors vertical alignment without bonds at high densities. The competition between these two mechanisms drives a structural crossover upon compression from a horizontally aligned bonded chain structure to a completely unbonded, vertically aligned structure. While patchy ellipses undergo a tilted-to-vertical realignment, patchy rectangle-like superellipses exhibit a horizontal-to-vertical change. These structural changes manifest as a plateau in the equation of state. To capture these properties, we generalize Wertheim's first-order thermodynamic perturbation theory by introducing an orientation-dependent fraction of sites not in a bond. When combined with the Parsons-Lee hard-body theory, the orientationally resolved perturbation theory provides quantitatively reliable results for the structural properties and phase behavior. Therefore, the generalized Wertheim theory together with the Parsons-Lee theory can be suitable in higher dimensions, too.

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