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Molecular dynamics analysis on tensile properties of carbon nanotubes with different cracks

Abstract Molecular dynamics simulation is employed for the axial tension of single-walled carbon nanotubes (SWCNTs) with different cracks. The cracks of SWCNTs in this study actually are the crack-like defects. AIREBO potential is used to simulate the interactions among carbon atoms. The effects of the crack length, temperature, strain rate and tube diameter on the mechanical properties of SWCNTs are studied. It is found that the failure stress and failure strain decrease with the increase of crack length. And the results show that the failure stress and failure strain are related to the applied strain rate and affected by temperature especially by lower temperature. It is also revealed that the failure stress increases with the increase in tube diameter. The deformation behaviours of SWCNTs are also obtained.