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a g-Graphyne nanotubes (g-GNTs), which are formed by rolling up a g-graphyne sheet in a similar way to carbon nanotubes, exhibit unique mechanical properties due to the carbon atoms in the sp and sp 2 hybridized states. In this study, the mechanical properties of g-GNTs were investigated using molecular dynamics simulations. The effects of the dimensions, temperature, strain rate and the presence of a vacancy on the mechanical properties, i.e., Young's modulus, fracture strength and fracture strain, were comprehensively studied. The results indicate that the mechanical properties of the g-GNTs are not sensitive to the length and strain rate, while the Young's modulus increases with increasing diameter.Meanwhile, an obvious temperature-dependent mechanical behavior was also found due to the stronger thermal vibration of the atoms at a higher temperature, especially in terms of the fracture strength and fracture strain. In addition, the mechanical properties of the g-GNTs would be degraded with the existence of a vacancy, and they are more sensitive to the vacancy in the benzene rings than that in the acetylenic linkages, especially for the double-vacancy. The underlying mechanisms were analyzed from the stress distribution and fracture structure during tensile deformation.

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