| AVS 62nd International Symposium & Exhibition | |
| 2D Materials Focus Topic | Wednesday Sessions |
| Session 2D+EM+IS+MC+NS+SP+SS-WeA |
| Session: | Dopants and Defects in 2D Materials |
| Presenter: | Jonathan Willman, University of South Florida |
| Authors: | J.T. Willman, University of South Florida J.M. Gonzales, University of South Florida R. Perriot, Los Alamos National Laboratory I.I. Oleynik, University of South Florida |
| Correspondent: | Click to Email |
Recent experiments involving nanoindentation of graphene have demonstrated counterintuitive weakening of Young’s modulus with increasing concentrations of point defects in graphene in contradiction to previous investigations. To fully resolve these inconsistencies we perform large-scale molecular dynamics simulations of nanoindentation under conditions of Atomic Force Microscopy (AFM) nanoindentation experiments. The reliable description of interatomic interactions is achieved by using recently developed screened environment-dependent bond order (SED-REBO) potential. The elastic properties of the defective graphene, the breaking strength and the mechanisms of fracture under indenter are investigated as a function of type of point defects as well as their concentration.