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Journal of the Physical Society of Japan
Article . 2025 . Peer-reviewed
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2024
License: CC BY
Data sources: Datacite
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Recursive Algorithm to the Centroid of Free Area for Inherent Structure and Hopping Motion in Deeply Supercooled Binary Hard Disk Systems

Authors: Daigo Mugita; Kazuyoshi Souno; Masaharu Isobe;

Recursive Algorithm to the Centroid of Free Area for Inherent Structure and Hopping Motion in Deeply Supercooled Binary Hard Disk Systems

Abstract

Inherent structures, derived by eliminating thermal fluctuations from complex trajectories, illuminate fundamental mechanisms underlying structural relaxation and dynamic heterogeneity in dense glassy systems. However, determining these structures in hard disk/sphere systems presents unique challenges due to the discontinuous nature of inter-particle potentials and resultant flat potential energy landscapes. To address this limitation, we introduce the Recursive Centroid of Free Area algorithm (ReCFA), a novel approach inspired by a steepest descent method, which computes inherent structure configurations in hard disk systems. We conducted comparative analyses between ReCFA, similar methods, and a conventional time-coarse-graining technique, focusing on string-like hopping motions in supercompressed binary hard disks that emulate supercooled liquid behavior. ReCFA demonstrated notable advantages in capturing entropic contributions. The configurations derived through ReCFA exhibited physically reasonable particle displacements analogous to inherent structures in soft particle systems, effectively identifying hopping motions between metastable basins in jammed states. This ReCFA-based analysis enhances our understanding of relaxation dynamics in highly compressed glassy systems, offering a robust analytical tool for investigating both dynamic and structural characteristics across hard and soft particle systems.

11 pages, 12 figures, to appear in J.Phys.Soc.Jpn

Related Organizations
Keywords

Statistical Mechanics (cond-mat.stat-mech), Soft Condensed Matter (cond-mat.soft), FOS: Physical sciences, Condensed Matter - Soft Condensed Matter, Computational Physics (physics.comp-ph), Physics - Computational Physics, Condensed Matter - Statistical Mechanics

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green