Investigation of interfacial mechanical properties of graphene-polymer nanocomposites

Feng Liu, Ning Hu, Meng Han, Satoshi Atobe, Huiming Ning, Yaolu Liu, Liangke Wu

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)1165-1170
Number of pages6
JournalMolecular Simulation
Issue number14
Publication statusPublished - 2016 Sept 21


  • Molecular dynamics
  • graphene
  • interfacial mechanical property
  • nanocomposites
  • pull-out simulation

ASJC Scopus subject areas

  • Chemistry(all)
  • Information Systems
  • Modelling and Simulation
  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics


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