| AVS 61st International Symposium & Exhibition | |
| 2D Materials Focus Topic | Wednesday Sessions |
| Session 2D+AS+EM+MI+MN+NS+TF-WeA |
| Session: | Properties of 2D Materials |
| Presenter: | Ivan Oleynik, University of South Florida |
| Authors: | J.M. Gonzales, University of South Florida R. Perriot, Los Alamos National Laboratory I.I. Oleynik, University of South Florida |
| Correspondent: | Click to Email |
Graphene and other two-dimensional (2D) materials possess extraordinary mechanical properties, which are currently being explored in various novel applications. Atomic force microscopy (AFM) nanoindentation experiments on both pristine and polycrystalline samples of 2D materials, while being successful in measuring overall mechanical performance of graphene, require some theoretical input to extract the important mechanical properties. Large-scale atomistic molecular dynamics simulations are used to predict the mechanical properties of 2D materials, such as the elastic moduli, breaking strength, stress/strain distributions, and mechanisms of fracture under conditions of AFM nanoindentation experiments. Perfect, defective, and polycrystalline samples are investigated using large-scale molecular dynamics simulations with a screened environment-dependent bond order (SED-REBO) potential. The mechanisms of crack propagation in both perfect and defective samples will also be presented.