Dresden 2014 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 37: Poster Session 2

CPP 37.64: Poster

Mittwoch, 2. April 2014, 15:00–19:00, P3

Wang-Landau simulation of polymer melts phase behaviour — •Timur Shakirov and Wolfgang Paul — Martin Luther Universität, Halle, Deutschland

Phase transitions in polymer melts are under intensive investigation during last years using both theoretical and experimental methods. But Wang-Landau simulations of polymer melts wasn't successive and concerned mainly single chains and dilute systems or lattice models. We present results of off-lattice Wang-Landau simulation of melts of linear semi-flexible chains with stiffens bond potential. Simulated phase behavior of such system corresponds to known results of molecular dynamics simulation and can be estimated for model systems which maximal to minimal number of state ratio is over few thousands of magnitude.