Regensburg 2010 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 21: Soft Matter II

DY 21.1: Vortrag

Mittwoch, 24. März 2010, 16:30–16:45, H47

Generalized-Ensemble Monte Carlo Simulations of Polymer Adsorption on Nanostrings — •Thomas Vogel and Michael Bachmann — Soft Matter Systems Research Group, Institut für Festkörperforschung (IFF-2), Forschungszentrum Jülich, 52425 Jülich, Germany

We study the conformational behavior of polymers adsorbed at nanostrings as a limiting case of adsorption on nanocylinders or nanotubes [1,2]. We report on results of generalized-ensemble Monte Carlo simulations of a flexible bead-stick polymer interacting with an attractive linelike substrate. Varying the string attraction strength and its effective thickness, we identify different conformational phases for the adsorbed polymers. There are, for example, phases dominated by collapsed globules attached to the string and monolayer conformations wrapping the string in a very ordered way. Results on the thermodynamics of transitions between structural phases are discussed and shapes of low-energy states are presented [3].

[1] A. Milchev and K. Binder, J. Chem. Phys. 117, 6852 (2002)
[2] I. Gurevitch and S. Srebnik, Chem. Phys. Lett. 444, 96 (2007)
[3] T. Vogel and M. Bachmann, preprint (2009)