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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 32: P4: Computational Physics of Soft Matter

CPP 32.10: Poster

Dienstag, 17. März 2015, 14:00–16:00, Poster B

Effects of Stiffness on a Generic Polymer Model and where Knots come into Play — •Martin Marenz and Wolfhard Janke — Institut für Theoretische Physik, Universität Leipzig, Postfach 100 920, 04009 Leipzig, Germany

We give an overview of the influence of bending stiffness on the conformational phases of a generic homopolymer model and study especially the occurrence of knots as stable pseudo phases. Thus we present the pseudo-phase diagram for the complete range of semi-flexible polymers, ranging from flexible to stiff ones. Although it is a simplistic model, we have observed a rich variety of conformational phases which are comparable to conformations observed for real polymers and proteins. Just by changing the internal bending stiffness, the polymer model features different pseudo-phases like bended, knot-like, hairpin or toroidal phases. To identify these phases we have calculated, besides standard observables, the complete gyration tensor and the knot type of the polymer via the Alexander polynomial. Due to the relative complex phase space with numerous pseudo-phase transitions and the large parameter space, we used a recently developed parallel variant of the multicanonical algorithm to cope with all problems arising from the transitions and the slow dynamics at very low energies.