Regensburg 2002 – wissenschaftliches Programm
SYPF 2.4: Poster
Donnerstag, 14. März 2002, 09:00–18:00, Poster B
Structure Formation in Supercooled Thin Polymer Films — •Hendrik MEYER and Jörg BASCHNAGEL — Laboratoire Européen Associé, Institut Charles Sadron, CNRS, 67083 Strasbourg, France
A recently introduced coarse-grained model suitable for studying polymer crystallization from the melt  is used in molecular dynamics simulations in thin film geometries. The confining walls induce a preorder already in the melt at high temperature. On lowering the temperature, crystalline order is nucleating at the walls and grows to the inside of the film. We show how this growth can be influenced by prestructuring the wall. Short chains of N=20 monomers always form extended chain crystals whereas chains of N=50 form chain-folded structures. However, at higher crystallization temperatures, these chains disentangle and form better ordered crystals than at lower temperatures.
 H. Meyer and F. Müller-Plathe, J. Chem. Phys. 115 (2001) 7807.