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Molecular Dynamics Simulation of Confined Glass Forming Liquids

Published online by Cambridge University Press:  21 March 2011

Fathollah Varnikl ,
Peter Scheidlerl ,
Jörg Baschnagel ,
Walter Kob  and
Kurt Binder
Fathollah Varnikl
Affiliation:
Institut für Physik, Johannes Gutenberg-Universitäat, Staudinger Weg 7, D–55099 Mainz, Germany
Peter Scheidlerl
Affiliation:
Institut für Physik, Johannes Gutenberg-Universitäat, Staudinger Weg 7, D–55099 Mainz, Germany
Jörg Baschnagel
Affiliation:
Institut Charles Sadron, ULP, 67083 Strasbourg, France
Walter Kob
Affiliation:
Laboratoire des Verres, Université Montpellier II, 34000 Montpellier, France
Kurt Binder
Affiliation:
Institut für Physik, Johannes Gutenberg-Universitäat, Staudinger Weg 7, D–55099 Mainz, Germany
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Abstract

Two model studies are presented in order to elucidate the effect of confinement on glass forming fluids, attempting to study the effects of the interactions between the confining walls and the fluid particles. In the first model, short bead-spring chains (modelling a melt of flexible polymers) are put in between perfectly flat, structureless walls, on which repulsive potentials act. It is shown that chains near the walls move faster (in the direction parallel to the walls) than chains in the bulk. A significant decrease of the (mode-coupling) critical temperature with decreasing film thickness is found. In the second model, a binary Lennard-Jones liquid is confined in a thin film, whose surface has an amorphous structure similar to the liquid. Although, as expected, the static structural properties of the liquid are not affected by the confinement, relaxation times near the wall are much larger than in the bulk. Consequences for the interpretation of experiments are briefly discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 651: Symposium T – Dynamics in Small Confining Systems V , 2000 , T3.1.1
Copyright
Copyright © Materials Research Society 2001

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