Berlin 2012 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 25: Poster: Stress Relaxation in Polymers - From single molecules to biological cells (joint focus with BP)
CPP 25.10: Poster
Mittwoch, 28. März 2012, 11:00–13:00, Poster A
Conformational properties of stretched and unstretched semiflexible polymer chains — •Hsiao-Ping Hsu1, Wolfgang Paul2, and Kurt Binder1 — 1Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, D-55099 Mainz, Germany — 2Theoretische Physik, Martin Luther Universität Halle-Wittenberg, von Seckendorffplatz 1, 06120 Halle, Germany
Semiflexible polymer chains under good solvent conditions are described by self-avoiding walks on the square and simple cubic lattices in d=2 and d=3 dimensions, respectively, and the stiffness of chains is controlled by the bending energy єb. With the pruned-enriched Rosenbluth method (PERM), we observe a double crossover behavior, rigid-rod-like to (almost) Gaussian random coils, then to self-avoiding walks, for the chain length up to N=50000 in d=3, but only a single crossover from rigid-rod-like to self-avoiding walks for the chain length up to N=25600. in d=2. Testing the applicability of the Kratky-Porod model, we also check whether the chain conformation is dominated by the excluded volume effects or not as the chain length and its flexibility vary. We extend our study to the problem of stretching semiflexible chains. Varying the strength of the force, the flexibility of the chain, and the chain length, the theoretical predictions of the force-extension relationship at different length scale regimes (linear response - Pincus blob - Kratky-Porod model - freely joined chain) are checked. Our large scale Monte Carlo simulations give clear evidence for the importance of excluded volume effects on the stretching behavior of semiflexible polymer chains.