Static and dynamical properties of a supercooled liquid confined in a pore

Citation
P. Scheidler et al., Static and dynamical properties of a supercooled liquid confined in a pore, J PHYS IV, 10(P7), 2000, pp. 33-36
Citations number
10
Categorie Soggetti
Physics
Journal title
JOURNAL DE PHYSIQUE IV
ISSN journal
11554339 → ACNP
Volume
10
Issue
P7
Year of publication
2000
Pages
33 - 36
Database
ISI
SICI code
1155-4339(200005)10:P7<33:SADPOA>2.0.ZU;2-O
Abstract
We present the results of a Molecular Dynamics computer simulation of a bin ary 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 confineme nt, 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 t o the one in the bulk, whereas the characteristic relaxation time tau q(T,r ho) Of the intermediate scattering function at wavevector q and distance rh o from the axis of the pore increases continuously when approaching the wal l, leading to an apparent divergence in the vicinity of the wall. This effe ct is seen for intermediate temperatures down to temperatures close to the glass transition. The rho-dependence of tau q(T, rho) can be described by a n empirical law of the form tau(q)(T, rho) = f(q)(T) exp[Delta(q)/rho(p) - rho)], where Delta(q) and rho(q) are constants, and f(q)(T) is the only par ameter which shows a significant temperature dependence.