Dresden 2017 – wissenschaftliches Programm
CPP 60: Focus: Topological Problems in the Physics of Polymers, Biopolymers and Fibers I (joint session BP/CPP, organized by CPP)
CPP 60.4: Vortrag
Donnerstag, 23. März 2017, 16:00–16:15, ZEU 260
Slow diffusion of ring polymer melts originated from inter-ring threading — •Eunsang Lee1,2 and YounJoon Jung1 — 1Department of Chemistry, Seoul National University, Seoul 08826, Korea — 2Institut für Physik, Martin-Luther Universität Halle-Wittenberg, Halle 06120, Germany
Topological constraints of a ring, nonconcatation and unknotting, force the rings to be in a threading configuration, which is believed to be a main reason for abnormally slow diffusion observed in a melt phase. In this presentation, we provide results for the threading dynamics using molecular dynamics (MD) simulation based on a bead-spring model and Monte Carlo simulation on a kinetically constrained lattice gas model. Threading configuration between two molecules frequently observed in MD trajectories causes asymmetric dynamic state of two molecules and a set of such rules is implemented in the lattice model to describe the ring diffusion. Both models well describe long-time behavior of the ring diffusion strongly governed by a long-lasting molecular contact from threading configuration. An evidence for the glassy dynamics is also presented to support the ring melt belonging to a topological glass. From this work, we gain physical insights on the relation between molecular topology and its slows dynamics of ring polymer melts.