How do interfaces alter the dynamics of supercooled water?


Journal

Nanoscale
ISSN: 2040-3372
Titre abrégé: Nanoscale
Pays: England
ID NLM: 101525249

Informations de publication

Date de publication:
17 Mar 2022
Historique:
pubmed: 5 3 2022
medline: 5 3 2022
entrez: 4 3 2022
Statut: epublish

Résumé

The structure of liquid water in the proximity of an interface can deviate significantly from that of bulk water, with surface-induced structural perturbations typically converging to bulk values at about ∼1 nm from the interface. While these structural changes are well established it is, in contrast, less clear how an interface perturbs the dynamics of water molecules within the liquid. Here, through an extensive set of molecular dynamics simulations of supercooled bulk and interfacial water films and nano-droplets, we observe the formation of persistent, spatially extended dynamical domains in which the average mobility varies as a function of the distance from the interface. This is in stark contrast with the dynamical heterogeneity observed in bulk water, where these domains average out spatially over time. We also find that the dynamical response of water to an interface depends critically on the nature of the interface and on the choice of interface definition. Overall these results reveal a richness in the dynamics of interfacial water that opens up the prospect of tuning the dynamical response of water through specific modifications of the interface structure or confining material.

Identifiants

pubmed: 35244128
doi: 10.1039/d2nr00387b
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

4254-4262

Auteurs

Piero Gasparotto (P)

Scientific Computing Division, Paul Scherrer Institute, Villigen 5232, Switzerland. piero.gasparotto@psi.ch.

Martin Fitzner (M)

Thomas Young Centre, London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, London WC1E 6BT, UK.

Stephen James Cox (SJ)

Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. am452@cam.ac.uk.

Gabriele Cesare Sosso (GC)

Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, UK.

Angelos Michaelides (A)

Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. am452@cam.ac.uk.

Classifications MeSH