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DY: Dynamik und Statistische Physik

DY 52: Weiche Materie

DY 52.2: Vortrag

Freitag, 15. März 2002, 11:30–11:45, H2

Chain-Length Dependence of Crystallization and Melting Temperatures in a Coarse-Grained Polymer Model — •Hendrik MEYER — LEA, Institut Charles Sadron, CNRS, 67083 Strasbourg, France

We recently introduced a bead-spring polymer model including an angle bending potential for the use in molecular dynamics simulations. This model reproduces many features of polymer crystallization including the temperature dependence of chain-folding in supercooled polymer melts of long chains [1]. Short chains form usually extended chain crystals, however, the crystallization and melting temperatures increase significantly with chain length. In addition, a large hysteresis is observed because homogeneous nucleation only appears at significant supercooling. In this contribution, we also discuss the influence of cooling and heating rates as well as finite size effects on the melting and crystallization temperatures.

[1] H. Meyer and F. Müller-Plathe, J. Chem. Phys. 115 (2001) 7807.