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Assessing the structural heterogeneity of supercooled liquids through community inference

Paret J.
•
Jack R. L.
•
Coslovich Daniele
2020
  • journal article

Periodico
THE JOURNAL OF CHEMICAL PHYSICS
Abstract
We present an information-theoretic approach inspired by distributional clustering to assess the structural heterogeneity of particulate systems. Our method identifies communities of particles that share a similar local structure by harvesting the information hidden in the spatial variation of two- or three-body static correlations. This corresponds to an unsupervised machine learning approach that infers communities solely from the particle positions and their species. We apply this method to three models of supercooled liquids and find that it detects subtle forms of local order, as demonstrated by a comparison with the statistics of Voronoi cells. Finally, we analyze the time-dependent correlation between structural communities and particle mobility and show that our method captures relevant information about glassy dynamics.
DOI
10.1063/5.0004732
WOS
WOS:000526712200002
Archivio
http://hdl.handle.net/11368/2969253
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85083309066
https://aip.scitation.org/doi/10.1063/5.0004732
Diritti
open access
license:copyright editore
FVG url
https://arts.units.it/bitstream/11368/2969253/1/Coslovich.pdf
Soggetti
  • Supercooled Liquid

  • Vitrification

  • Mode Coupling Theory

Scopus© citazioni
14
Data di acquisizione
Jun 7, 2022
Vedi dettagli
Web of Science© citazioni
42
Data di acquisizione
Mar 3, 2024
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