Dresden 2011 – scientific programme

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DY: Fachverband Dynamik und Statistische Physik

DY 43: Soft Matter

DY 43.2: Talk

Friday, March 18, 2011, 10:30–10:45, ZEU 118

Entanglements in globular polymer phases: A Monte Carlo study — •Daniel Reith and Peter Virnau — Institut für Physik, Johannes Gutenberg-Universität Mainz, 55099 Mainz

Bridging algorithms are global Monte Carlo moves which allow for simulation of globular phases of single polymers [1]. These moves ensure an efficient sampling of the topological degrees of freedom, which is usually hindered by the high monomer density and self-entanglements, by destroying and recreating bonds. In this context, the determination of knots provides a measure for entanglement which allows us to gauge the efficiency of the move sets.
The second part will focus on the application of these bridging moves to problems related to single chain polymers in globular phases. To this end we discuss single polystyrene chains in miniemulsion droplets, the influence of chain stiffness on self-entanglements of a single polymer chain in a spherical capsid and the influence of sequence on the knotting of globular heteropolymers.
D. Reith, P. Virnau, Comput Phys Commun 181, 800 (2010)