Interfacial characterization of functionalized graphene-epoxy composites

Liliana Sofia S. F. P. Melro, Lars Rosgaard Jensen*

*Corresponding author

Research output: Contribution to journalJournal articlepeer-review

5 Citations (Scopus)


The interface of graphene/epoxy was studied using molecular dynamics simulations by calculating the work of separation and traction-separation responses in the normal mode. The influence of functionalization of the graphene layers on the traction-separation behaviour was also examined by grafting hydroxyl, carboxyl, and carbonyl groups. It is shown that the magnitude of the maximum traction is clearly larger for functionalized graphene/epoxy systems as compared to pristine graphene. The work of adhesion also shows a clear difference in the interface behaviour of functionalized graphene/epoxy and pristine/epoxy systems with the presence of functional groups generating higher values of work of separation.

Original languageEnglish
JournalJournal of Composite Materials
Issue number5
Pages (from-to)703-710
Number of pages8
Publication statusPublished - 2020


  • Functionalization
  • graphene composites
  • molecular dynamics
  • traction
  • work of separation


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