title: Slow Water Dynamics near a Glass Transition or a Solid Interface: A Common Rationale.
abstract: Performing molecular dynamics simulations, we investigate the enormous slowdowns of water dynamics when approaching a glass transition or a solid interface. We show that both effects can be described on common grounds within a theoretical framework, which was recently proposed by Schweizer et al. and considers coupled local hopping and elastic distortion. For confined water, we correctly describe the variation of the α-relaxation time, τα, as a function of both temperature and position with respect to the interface. Exploiting our knowledge of a cooperative length scale ξ(T) from the confinement studies, we quantitatively rationalize the glassy slowdown, τα(T), and the Stokes-Einstein breakdown of bulk water. For both confined and bulk liquid, variations of the α-relaxation time are intimately related to changes of the cage-rattling amplitude.
authors.affiliation: Institut für Festkörperphysik, Technische Universität Darmstadt , Hochschulstr. 6, D-64289 Darmstadt, Germany.
authors.forename: F
authors.initials: F
authors.lastname: Klameth
authors.affiliation: Institut für Festkörperphysik, Technische Universität Darmstadt , Hochschulstr. 6, D-64289 Darmstadt, Germany.
authors.forename: M
authors.initials: M
authors.lastname: Vogel
keywords: confined liquids; glass transition; molecular dynamics simulation; water