J. Phys. IV France 10 (2000) Pr7-33-Pr7-36
Static and dynamical properties of a supercooled liquid confined in a poreP. Scheidler, W. Kob and K. Binder
Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, 55099 Mainz, Germany
We present the results of a Molecular Dynamics computer simulation of a binary Lennard-Jones liquid confined in a narrow pore. The surface of the pore has an amorphous structure similar to that of the confined liquid. We find that the static properties of the liquid are not affected by the confinement, while the dynamics changes dramatically. By investigating the time and temperature dependence of the intermediate scattering function we show that the dynamics of the particles close to the center of the tube is similar to the one in the bulk, whereas the characteristic relaxation time τq(T,ρ) of the intermediate scattering function at wavevector q and distance ρ from the axis of the pore increases continuously when approaching the wall, leading to an apparent divergence in the vicinity of the wall. This effect is seen for intermediate temperatures down to temperatures close to the glass transition. The ρ-dependence of τq(T,ρ) can be described by an empirical law of the form
τq(T,ρ) = fq(T)exp[ Δq/ρp-ρ] , where Δq and ρq are constants, and fq(T) is the only parameter which shows a significant temperature dependence.
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