Modern computational studies of the glass transition - Laboratoire Charles Coulomb (L2C) Accéder directement au contenu
Article Dans Une Revue Nature Reviews Physics Année : 2023

Modern computational studies of the glass transition

Résumé

The physics of the glass transition and amorphous materials continues to attract the attention of a wide research community after decades of effort. Supercooled liquids and glasses have been studied numerically since the advent of molecular dynamics and Monte Carlo simulations in the last century. Computer studies have greatly enhanced both experimental discoveries and theoretical developments and constitute an active and continually expanding research field. Our goal in this review is to provide a modern perspective on this area. We describe the need to go beyond canonical methods to attack a problem that is notoriously difficult in terms of time scales, length scales, and physical observables. We first summarise recent algorithmic developments to achieve enhanced sampling and faster equilibration using replica exchange methods, cluster and swap Monte Carlo algorithms, and other techniques. We then review some major recent advances afforded by these novel tools regarding the statistical mechanical description of the liquid-to-glass transition as well as the mechanical, vibrational and thermal properties of the glassy solid. We finally describe some important challenges for future research.
Fichier principal
Vignette du fichier
2208.02206.pdf (920 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
licence : CC BY - Paternité

Dates et versions

hal-04117501 , version 1 (05-06-2023)

Identifiants

Citer

Ludovic Berthier, David R Reichman. Modern computational studies of the glass transition. Nature Reviews Physics, 2023, 5 (2), pp.102-116. ⟨10.1038/s42254-022-00548-x⟩. ⟨hal-04117501⟩
28 Consultations
24 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More