Bimodality of local structural ordering in extremely confined hard disks

By combining computer simulations and a unit cell model approach, we study the apparent bimodality of local structural ordering in a system of confined hard disks. It is shown that a two-dimensional (2D) array of hard disks being confined laterally within a quasi-1D hard wall channel of the width commensurate the bulk 2D triangular lattice at disks close packing, possesses a bimodal probability distribution for the distance between the disk's left and right nearest neighbors. The observed feature aligns with the concept of locally favored structures intensively exploited in the studies of anomalous thermodynamic and kinetic behavior of hydrogen-bonding fluids, except that the reported case is driven by entropic bonding only. The bimodality is observed in a range of densities associated with the vicinity of freezing transition in bulk 2D hard disks, indicating a crossover from the "gas-like" to "liquid-like" state in confined quasi-1D hard disks. Such a phenomenon was not reported for bulk 2D hard disks and is physically unexpected for confined q1D hard disks.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-05-08
DOI
https://doi.org/10.1063/5.0249154
Citations
2
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
1.04

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article

Bimodality of local structural ordering in extremely confined hard disks

Andrij Trokhymchuk, Taras Bryk, A. Huerta
2 citations
The Journal of Chemical Physics
Material Dynamics and Properties
1.04
article

Bimodality of local structural ordering in extremely confined hard disks

Andrij Trokhymchuk, Taras Bryk, A. Huerta
article en
2 citations

Abstract

By combining computer simulations and a unit cell model approach, we study the apparent bimodality of local structural ordering in a system of confined hard disks. It is shown that a two-dimensional (2D) array of hard disks being confined laterally within a quasi-1D hard wall channel of the width commensurate the bulk 2D triangular lattice at disks close packing, possesses a bimodal probability distribution for the distance between the disk's left and right nearest neighbors. The observed feature aligns with the concept of locally favored structures intensively exploited in the studies of anomalous thermodynamic and kinetic behavior of hydrogen-bonding fluids, except that the reported case is driven by entropic bonding only. The bimodality is observed in a range of densities associated with the vicinity of freezing transition in bulk 2D hard disks, indicating a crossover from the "gas-like" to "liquid-like" state in confined quasi-1D hard disks. Such a phenomenon was not reported for bulk 2D hard disks and is physically unexpected for confined q1D hard disks.

The Journal of Chemical PhysicsVol. 162(18)
Universidad Veracruzana (MX), National Academy of Sciences of Ukraine (UA), University of Ljubljana (SI), Institute of Applied Mathematics (RU), Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine (UA), Lviv Polytechnic National University (UA)
HORIZON EUROPE Marie Sklodowska-Curie Actions
Sustainable cities and communities
Openalex Percentile: Top 26%
Material Dynamics and Properties
1.04
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Bimodality of local structural ordering in extremely confined hard disks — Andrij Trokhymchuk, Taras Bryk, et al. · The Journal of Chemical Physics (2025) | TGRS Research Map | TGRS