Effect of silicon substitution on mechanical properties of zigzag single-walled boron nitride nanotubes

The effect of silicon substitution on the elastic constants and properties of (3, 0), (4, 0) and (5, 0) boron nitride nanotubes has been studied. The density functional theory, plane-wave pseudopotential method with generalized gradient approximation (GGA)to investigate the mechanical properties of zigzag single-walled boron nitride nanotubes were employed. It is observed that doping Si atom changes the Bulk modulus, Young s modulus, Shear modulus, Ductility and poisson s ratio of boron nitride nanotubes.

کلیدواژه ها:

Boron-Nitride Nanotubes ، Young s Modulus ، Density functional theory ، Shear Modulus