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Coarse grained molecular dynamics simulation of thermosetting resins in nanocomposite

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5 Author(s)
Sawa, F. ; Power & Ind. Syst. R&D Center, Toshiba Corp., Yokohama, Japan ; Imai, T. ; Ozaki, T. ; Shimizu, T.
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Epoxy-based polymer nanocomposites are promising materials for high voltage insulation in industrial use because they have advantages in some properties such as thermal resistivity, mechanical toughness and good V-t characteristics. In polymer nanocomposites, interfaces between fillers and polymer matrices are considered to play a predominant role because they have much larger interface areas than in microcomposites. The coarse-grained molecular dynamics simulation, based on the bead-spring model in polymer physics, is a powerful tool for interpreting the morphology and dynamics of polymer chains. In this study, a coarse-grained molecular dynamics simulation including a reaction model of monomers such as chief ingredients and hardener was conducted to investigate the thermodynamic properties of the interface between nano-fillers and thermosetting resins. Simulation results indicate that the dynamics of network chains close to the nano-filler surfaces is different from the bulk regions. This result will give in-depth analysis of interfacial problems of nano-composites.

Published in:

Properties and Applications of Dielectric Materials, 2009. ICPADM 2009. IEEE 9th International Conference on the

Date of Conference:

19-23 July 2009

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