Simulation of polymer melts. I. Coarse-g
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W. TschΓΆp; K. Kremer; J. Batoulis; T. BΓΌrger; O. Hahn
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Article
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1998
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John Wiley and Sons
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English
β 207 KB
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The paper introduces a systematic procedure to coarse grain atomistic polymer models into a mesoscopic model, which then allows an effective and fast simulation of melts. The method, which provides information on both static and dynamic properties, is tested for three different modifications of poly