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DY: Fachverband Dynamik und Statistische Physik

DY 13: Poster - Glasses / Stat. Phys. Bio. / Networks (joint session DY/BP/CPP/SOE)

DY 13.22: Poster

Dienstag, 1. April 2014, 09:30–12:30, P1

Event chain simulations of polymer bundles — •Tobias Alexander Kampmann and Jan Kierfeld — TU Dortmund, Germany, NRW

We study simulation methods for large polymer systems forming locally dense structures such as polymer or filament bundles. In order to simulate such systems effectively using Monte-Carlo methods, we propose a novel event chain algorithm adapted from hard sphere systems [E. P. Bernard, W. Krauth, Phys. Rev. E, 80: 056704 (2009)]. The algorithm works rejection-free and reduces autocorrelation and equilibration times significantly.

We demonstrate the advantages of the algorithm by investigating the diffusive behaviour of bundle structures. Using the event chain algorithm a polymer bundle exhibits the correct scaling of diffusion constants with bundle size, which is not obtained using simple local displacement moves. We apply the algorithm to bundle networks formed by semiflexible filaments with short-range attractive interactions.