Laboratoire Charles Coulomb UMR 5221 CNRS/UM2 (L2C)


Accueil > Production scientifique

Recherche approfondie

par Année
par Auteur
par Thème
par Type
- Configurational entropy of glass-forming liquids doi link

Auteur(s): Berthier L., Ozawa M., Scalliet C.

(Article) Publié: The Journal Of Chemical Physics, vol. 150 p.160902 (2019)
Texte intégral en Openaccess : arxiv

Ref HAL: hal-02123889_v1
Ref Arxiv: 1902.07679
DOI: 10.1063/1.5091961
Ref. & Cit.: NASA ADS
Exporter : BibTex | endNote

The configurational entropy is one of the most important thermodynamic quantities characterizing supercooled liquids approaching the glass transition. Despite decades of experimental, theoretical, and computational investigation, a widely accepted definition of the configurational entropy is missing, its quantitative characterization remains fraud with difficulties, misconceptions and paradoxes, and its physical relevance is vividly debated. Motivated by recent computational progress, we offer a pedagogical perspective on the configurational entropy in glass-forming liquids. We first explain why the configurational entropy has become a key quantity to describe glassy materials, from early empirical observations to modern theoretical treatments. We explain why practical measurements necessarily require approximations that make its physical interpretation delicate. We then demonstrate that computer simulations have become an invaluable tool to obtain precise, non-ambiguous, and experimentally-relevant measurements of the configurational entropy. We describe a panel of available computational tools, offering for each method a critical discussion. This perspective should be useful to both experimentalists and theoreticians interested in glassy materials and complex systems.

Commentaires: 20 pages, 11 figures, submitted to the Journal of Chemical Physics. Réf Journal: J. Chem. Phys. 150, 160902 (2019)