Irreversible swap algorithms for soft sphere glasses

We extend to soft repulsive interaction potentials a recently proposed irreversible swap algorithm originally designed for polydisperse hard spheres. The original algorithm performs rejection-free, irreversible, collective swap moves. We show that event-driven cluster updates of particle diameters can also be performed in continuous potentials by introducing a factorized Metropolis probability. However, the Metropolis factorization needed to deal with continuous potentials decreases the efficiency of the algorithm and mitigates the benefits of breaking detailed balance. This leads us to propose another irreversible swap algorithm using the standard Metropolis probability that accelerates the relaxation of soft sphere glasses at low temperatures compared to the original swap algorithm. We apply these efficient swap algorithms to produce very stable inherent structures with vibrational density of states lacking the quasilocalized excitations observed in conventional glasses.

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Publication Details

Journal
Physical review. E
Published
2025-04-17
DOI
https://doi.org/10.1103/physreve.111.045416
Citations
2
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
1.04

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article

Irreversible swap algorithms for soft sphere glasses

Federico Ghimenti, Yoshihiko Nishikawa, Ludovic Berthier, Frédéric van Wijland
2 citations
Physical review. E
Material Dynamics and Properties
1.04
article

Irreversible swap algorithms for soft sphere glasses

Federico Ghimenti, Yoshihiko Nishikawa, Ludovic Berthier, Frédéric van Wijland
article en
2 citations

Abstract

We extend to soft repulsive interaction potentials a recently proposed irreversible swap algorithm originally designed for polydisperse hard spheres. The original algorithm performs rejection-free, irreversible, collective swap moves. We show that event-driven cluster updates of particle diameters can also be performed in continuous potentials by introducing a factorized Metropolis probability. However, the Metropolis factorization needed to deal with continuous potentials decreases the efficiency of the algorithm and mitigates the benefits of breaking detailed balance. This leads us to propose another irreversible swap algorithm using the standard Metropolis probability that accelerates the relaxation of soft sphere glasses at low temperatures compared to the original swap algorithm. We apply these efficient swap algorithms to produce very stable inherent structures with vibrational density of states lacking the quasilocalized excitations observed in conventional glasses.

Physical review. EVol. 111(4)
Tohoku University (JP), Kyoto University (JP), Instituto de Física Teórica (ES), Laboratoire Matière et Systèmes Complexes (FR), Gulliver (FR), Yukawa Institute for Theoretical Physics (JP), Kitasato University (JP), Stanford University (US)
Agence Nationale de la Recherche, Japan Society for the Promotion of Science
Openalex Percentile: Top 26%
Material Dynamics and Properties
1.04
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Irreversible swap algorithms for soft sphere glasses — Federico Ghimenti, Yoshihiko Nishikawa, et al. · Physical review. E (2025) | TGRS Research Map | TGRS