Mutual information does not detect growing correlations in the propensity of a model molecular liquid.


Journal

Soft matter
ISSN: 1744-6848
Titre abrégé: Soft Matter
Pays: England
ID NLM: 101295070

Informations de publication

Date de publication:
28 Aug 2019
Historique:
pubmed: 14 8 2019
medline: 14 8 2019
entrez: 14 8 2019
Statut: ppublish

Résumé

The dynamical spatial correlations detected by the mutual information (MI) in the isoconfigurational particle displacements of a monodisperse molecular viscous liquid are studied via molecular-dynamics simulations by changing considerably both the molecular mobility and the degree of dynamical heterogeneity. Different from atomic liquids, the MI correlation length does not grow on approaching the glass transition by considering the liquid both in full detail as a collection of monomers and as a coarse-grained ensemble of molecular centers of mass. In the detailed picture, it is found that: (i) the MI correlations between monomers are largely due to inter-molecular correlations, (ii) the MI length scale is numerically identical, within the errors, to the correlation length scale of the displacement direction, as drawn by conventional correlation functions. The time evolution of the MI spatial correlations complies with the scaling between the fast vibrational dynamics and the long-time relaxation. Our findings suggest that the characteristics of the MI length scale are markedly system-dependent and not obviously related to dynamical heterogeneity.

Identifiants

pubmed: 31406967
doi: 10.1039/c9sm01143a
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

6784-6790

Auteurs

Antonio Tripodo (A)

Dipartimento di Fisica "Enrico Fermi", Università di Pisa, Largo B. Pontecorvo 3, I-56127 Pisa, Italy. dino.leporini@unipi.it.

Classifications MeSH