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Investigation of interfacial mechanical properties of graphene-polymer nanocomposites
Authors:Feng Liu  Meng Han  Satoshi Atobe  Huiming Ning  Yaolu Liu
Affiliation:1. State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, Hunan University, Changsha, P.R. China;2. Department of Engineering Mechanics, College of Mechanical and Vehicle Engineering, Hunan University, Changsha, P.R. China;3. College of Aerospace Engineering, Chongqing University, Chongqing, P.R. China;4. Department of Aerospace Engineering, Tohoku University, Sendai, Japan
Abstract:A series of graphene (GR) pull-out simulations based on molecular dynamics (MD) were carried out to investigate the interfacial mechanical properties between GR and a polymer matrix (polyethylene: PE). The effects of pull-out velocity, number of vacancy defect in GR and temperature on the interfacial mechanical properties of a GR/PE nanocomposite system were explored. The obtained results showed that the pull-out velocity and the temperature have significant influences on the interfacial mechanical properties for a perfect GR. Moderate vacancy defects in GR can effectively enhance the interfacial mechanical properties in GR-based polymer nanocomposites.
Keywords:Molecular dynamics  interfacial mechanical property  graphene  nanocomposites  pull-out simulation
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