Dislocation re-emission induced staged work hardening in graphene-nanotwin reinforced Cu: A molecular dynamics simulation study

Graphene and nanotwins are two effective reinforced microstructural features to achieve improved mechanical properties of metallic composites, while the two features are generally applied separately. In this study, graphene/nano-twinned Cu nanocomposites models with different arrangement of the graphene and twin boundaries were designed by using molecular dynamics (MD) simulations, and the dislocation processes and the interactions between dislocation and graphene/twin were simulated and investigated. The simulation results indicated the arrangement of graphene and nanotwin affects the work hardening behaviors in the graphene/nano-twinned Cu composites, i.e., two staged work hardening behavior corresponded to cyclic process of dislocation hindrance-absorption-reemission in the model with relatively small twin spacing and twin-graphene spacing, while the work hardening dominated by dislocation intersection and multiplication occurred in the model with large twin-spacing. The simulation provided herein demonstrated that the special arrangement of graphene and nanotwins led a way to tailoring the mechanical properties of metallic composites with various work hardening behaviors. Graphical abstract Highlights 1. Dislocation reactions between twins and graphene were simulated and analyzed. 2. Twin-graphene distance and the twin distance play key roles in the reaction. 3. The mechanism corresponding to work hardening changes in the limited two distances.

Automated summary

This study used molecular dynamics simulations to investigate the effects of the arrangement of graphene and nanotwins on the work hardening behavior of graphene/nano-twinned Cu nanocomposites. The results showed that the arrangement of graphene and nanotwins influenced the work hardening behavior, with a two-stage behavior observed in models with small twin spacing and twin-graphene spacing, and work hardening dominated by dislocation intersection and multiplication in models with large twin spacing. This research provides insight into tailoring the mechanical properties of metallic composites through the arrangement of graphene and nanotwins.