Dresden 2014 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 9: Crystallization, Nucleation and Self Assembly II
CPP 9.10: Talk
Monday, March 31, 2014, 17:45–18:00, ZEU 260
Evolution of Entanglement Distribution in the Growth and Melting of a Polymer Single Crystal — •Chuanfu Luo1 and Jens-Uwe Sommer1,2 — 1Leibniz-Institut für Polymerforschung Dresden, Germany — 2Technische Universität Dresden, Germany
Many physical properties of polymers are determined by the state of entanglement, such as visco-elasticity. Another closely related topic is the crystallization and melting of polymers, in which the formation of folded chain segments are strongly related with the local entanglement states [1]. Computer simulation provides the possibility to study the changes in entanglement states during the phase transition of polymers. We developed a method to calculate the local entanglement length based on an extended primitive path analysis (PPA) [2]. We apply this method to calculate the evolution of entanglement distribution in the growth and melting of a polymer single crystal, which are achieved by large scale MD simulations. In principal, the method can be used to calculate the entanglement distribution in various conditions, such as with confinement and during dynamic processes.
[1]C. Luo and J.-U. Sommer, ACS Macro Lett. 2, 31(2013)
[2]R. Everaers et al., Science 303, 823-826 (2004)