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Does the Adam-Gibbs relation hold in simulated supercooled liquids?
Ozawa, Misaki; Scalliet, Camille; Ninarello, Andrea; Berthier, Ludovic.
Afiliação
  • Ozawa M; Laboratoire Charles Coulomb (L2C), Université de Montpellier, CNRS, Montpellier, France.
  • Scalliet C; Laboratoire Charles Coulomb (L2C), Université de Montpellier, CNRS, Montpellier, France.
  • Ninarello A; CNR-ISC Uos Sapienza, Piazzale A. Moro 2, IT-00185 Roma, Italy.
  • Berthier L; Laboratoire Charles Coulomb (L2C), Université de Montpellier, CNRS, Montpellier, France.
J Chem Phys ; 151(8): 084504, 2019 Aug 28.
Article em En | MEDLINE | ID: mdl-31470721
ABSTRACT
We perform stringent tests of thermodynamic theories of the glass transition over the experimentally relevant temperature regime for several simulated glass-formers. The swap Monte Carlo algorithm is used to estimate the configurational entropy and static point-to-set lengthscale, and careful extrapolations are used for the relaxation times. We first quantify the relation between configurational entropy and the point-to-set lengthscale in two and three dimensions. We then show that the Adam-Gibbs relation is generally violated in simulated models for the experimentally relevant time window. Collecting experimental data for several supercooled molecular liquids, we show that the same trends are observed experimentally. Deviations from the Adam-Gibbs relation remain compatible with random first order transition theory and may account for the reported discrepancies between Kauzmann and Vogel-Fulcher-Tammann temperatures. Alternatively, they may also indicate that even near Tg thermodynamics is not the only driving force for slow dynamics.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article