Effect of defects on fracture strength of graphene sheets

MC Wang and C Yan and L Ma and N Hu and MW Chen, COMPUTATIONAL MATERIALS SCIENCE, 54, 236-239 (2012).

DOI: 10.1016/j.commatsci.2011.10.032

With a hexagonal monolayer network of carbon atoms, graphene has demonstrated exceptional electrical and mechanical properties. In this work, the fracture of graphene sheets with Stone-Wales type defects and vacancies were investigated using molecular dynamics simulations at different temperatures. The initiation of defects via bond rotation was also investigated. The results indicate that the defects and vacancies can cause significant strength loss in graphene. The fracture strength of graphene is also affected by temperature and loading directions. The simulation results were compared with the prediction from the quantized fracture mechanics. (C) 2011 Elsevier By. All rights reserved.

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