Work

Graph theory based approach to identify phase transitions in condensed matter

Year: 2025

Type: article

Abstract: We put forward a methodology to identify phase transitions in condensed matter without the need to rely on any preexisting physical background. Specifically, we use graph limit theory to construct order parameters that leverage the outcomes of molecular dynamics simulations. We apply this approach to investigate the phase transitions of a Lennard-Jones system and the glass-forming ability of the Kob-Andersen binary Lennard-Jones mixture. This methodology rigorously links graph limit theory, a cutting-edge field in combinatorial mathematics, with condensed matter physics.

Source: Physical review. B./Physical review. B

DOI: 10.1103/physrevb.111.054116

Authors: An Wang, Gabriele C. Sosso

Institution: University of Warwick

Language: English

Topic: Material Dynamics and Properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Funder: University of Warwick

OpenAlex ID: W4407956656

FWCI: 0.208

Cites: 37

Cited by: 1

Related to: 10