Regensburg 2013 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 35: Poster: Biomaterials and Biopolymers (joint session BP/CPP)

CPP 35.1: Poster

Mittwoch, 13. März 2013, 16:30–18:30, Poster C

Structur formation of a coarse-grained bead model — •Benno Werlich¹, Mark Taylor², and Wolfgang Paul¹ — ¹Institut für Physik, Martin-Luther University Halle-Wittenberg, Halle(Saale), Germany — ²Department of Physics, Hiram College, Ohio, USA

We study structure formation of single stiff, coarse-grained hard-sphere chains by means of Wang-Landau type Monte Carlo simulations. Stiffness is introduced by allowing a varying degree of overlap of bonded hard spheres. Collapse of these chains is introduced by a square-well attraction between non-bonded spheres. Depending on the degree of stiffness different, non-trivial morphologies like, e.g., helical structures, occur in the collapsed state. The transitions between different states are determined by an analysis of thermodynamic response functions. For the simulations we implemented the so-called Stochastic Approximation Monte Carlo method which has the advantage of implementing a very general and simple iteration scheme.