DescriptionThere is a growing interest in the strain engineering of 2D materials for applications in semiconductor devices. Free standing graphene has been shown to undergo plastic bending during high-rate out-of-plane loading. However, there is currently very limited theory for the mechanisms of plasticity in bending mode deformation of 2D materials.
Here, molecular dynamics studies are presented in which 5-7 dislocation dipoles are introduced randomly into suspended graphene sheets, which form out-of-plane ripples as a stress relieving mechanism. The sheet then undergoes high-rate loading from a cylindrical indenter, and residual plastic bending is measured. Correlations identified from these results indicate that higher strain rates and dislocation densities result in increased plasticity. Changes due to indentation in the out-of-plane rippled structure are quantified using a ridge and valley detection algorithm, which suggests that the out-of-plane ripple geometry may influence plastic bending, though, no strong correlations are found between the measured ripple geometry metrics and plastic bending, indicating a non-trivial relationship between the out-of-plane geometry and plastic bending.
Further molecular dynamics studies investigate the snap-through buckling behavior of single 5-7 dislocation dipole ripples as they are forced through the plane of the sheet. The energy barrier of this event is measured, and qualitative analysis of the ripple snap-through indicates that this is a kinematically driven process. A wave dynamics model describing snap-through during indentation is proposed.