Abstract
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 language | English |
|---|---|
| Journal | Journal of Composite Materials |
| Volume | 54 |
| Issue number | 5 |
| Pages (from-to) | 703-710 |
| Number of pages | 8 |
| ISSN | 0021-9983 |
| DOIs | |
| Publication status | Published - 2020 |
Keywords
- Functionalization
- graphene composites
- molecular dynamics
- traction
- work of separation