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Accelerated equilibration of polymer melts by time-coarse-graining

✍ Scribed by Forrest, Bruce M.; Suter, Ulrich W.

Book ID
120176773
Publisher
American Institute of Physics
Year
1995
Tongue
English
Weight
579 KB
Volume
102
Category
Article
ISSN
0021-9606

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Simulation of polymer melts. I. Coarse-g
Simulation of polymer melts. I. Coarse-graining procedure for polycarbonates
✍ W. TschΓΆp; K. Kremer; J. Batoulis; T. BΓΌrger; O. Hahn πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 207 KB πŸ‘ 2 views

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