作者: F. Lin , C. Yang , Q.H. Zeng , Y. Xiang
DOI: 10.1016/J.COMMATSCI.2018.03.048
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摘要: Abstract In this study, a multiscale simulation analysis combining mesoscale dissipative particle dynamics (DPD) method and continuum mechanics based finite element (FEM) is adopted to study the morphological mechanical properties of graphene-reinforced poly(methyl methacrylate) (PMMA) nanocomposites. Specifically, DPD simulations are performed for PMMA nanocomposite systems with graphene different surface chemistries (i.e., GN, FGN PMMA@FGN) process routines. It found that covalently functionalised PMMA@FGN/PMMA system can achieve better dispersion than untreated GN/PMMA system, which attributed intercalated coating molecules between nanofillers. However, increasing shear rate during processing may not result in nanofiller or orientation as expected. The microstructures subsequently mapped onto 3D representative volume (RVE). obtained from FEM match reasonably well those experiments literature, further demonstrated effectiveness proposed approach.