Regensburg 2016 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 28: Poster: Computational Physics of Soft Matter

CPP 28.3: Poster

Dienstag, 8. März 2016, 18:15–21:00, Poster B2

Stiffness of Homopolymer Chains — •Benno Werlich¹, Timur Shakirov¹, Mark P. Taylor², and Wolfgang Paul¹ — ¹Institut für Physik, Martin-Luther Univerität Halle-Wittenberg, Halle (Saale) — ²Department of Physics, Hiram College, Ohio, USA

For studying structure formation of homopolymer chains we use an off-lattice hard-sphere coarse grained model with square-well interactions. The indication of first and second order like pseudophase-transitions has been done with the help of microcanonical and canonical analysis. Therefore, a stiffness dependent state-diagram is shown for 40-mers. An example of various chain lengths for fixed stiffness shows an evolution of pseudophase-transitions. Beside nonspecific square-well interactions we introduced additional specific square-well interactions and study its effects. The simulations have been performed with the help of the Stochastic Approximation Monte Carlo Method (SAMC). SAMC is a type of Wang-Landau Monte Carlo.