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The effects of boron dopings and boron grafts on the mechanical properties of single-walled carbon nanotubes

The effects of boron doping and boron grafts on the mechanical behaviour of armchair (6, 6)
and zigzag (10, 0) single-walled carbon nanotubes (SWCNTs) under axial loading are
investigated using the molecular dynamics (MD) simulation method. The results show that
Young’s moduli, the tension strength, the buckling loads and the buckling strains of SWCNTs
decrease after functionalization. The influences of the distribution density of functionalization
on Young’s moduli of SWCNTs are also systematically studied. The results show that Young’s

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