Atomistic simulation of interfacial behaviour in graphene-polymer nanocomposites

Wang, Mingchao & Yan, Cheng (2014) Atomistic simulation of interfacial behaviour in graphene-polymer nanocomposites. Science of Advanced Materials, 6, pp. 1-5.

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Graphene–polymer nanocomposites have promising properties as new structural and functional materials. The remarkable mechanical property enhancement in these nanocomposites is generally attributed to exceptional mechanical property of graphene and possible load transfer between graphene and polymer matrix. However, the underlying strengthening and toughening mechanisms have not been well understood. In this work, the interfacial behavior of graphene-polyethylene (PE) was investigated using molecular dynamics (MD) method. The interfacial shear force (ISF) and interfacial shear stress (ISS) between graphene and PE matrix were evaluated, taking into account graphene size, the number of graphene layers and the structural defects in graphene. MD results show that the ISS at graphene-PE interface mainly distributes at each end of the graphene nanofiller within the range of 1 nm, and much larger than that at carbon nanotube (CNT)-PE interface. Moreover, it was found that the ISS at graphene-PE interface is sensitive to the layer number.

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3 citations in Scopus
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4 citations in Web of Science®

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ID Code: 66149
Item Type: Journal Article
Refereed: Yes
Keywords: Graphene-polymer nanocomposite, Interfacial shear stress, Molecular dynamics simulation
DOI: 10.1166/sam.2014.1810
ISSN: 1947-2935
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200) > Composite and Hybrid Materials (091202)
Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2014 American Scientific Publishers
Deposited On: 15 Jan 2014 01:05
Last Modified: 26 Feb 2014 05:20

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