شماره ركورد كنفرانس :
4100
عنوان مقاله :
Effect of silicon substitution on mechanical properties of zigzag single-walled boron nitride nanotubes
پديدآورندگان :
Riyahi Fatemeh Graduate University of Advanced Technology, PO Box: 76315-117, Kerman, Iran , Shojaie Fahimeh Graduate University of Advanced Technology, PO Box: 76315-117, Kerman, Iran , Zandiand Azita Graduate University of Advanced Technology, PO Box: 76315-117, Kerman, Iran , Safari Hassan Graduate University of Advanced Technology, PO Box: 76315-117, Kerman, Iran
كليدواژه :
Boron , Nitride Nanotubes , Young s Modulus , Density functional theory , Shear Modulus.
عنوان كنفرانس :
اولين همايش ملي توسعه در علوم و صنايع شيميايي
چكيده فارسي :
Th e effect of silicon substitution on the elastic constants and properties of (3, 0), (4, 0) and (5, 0) boron nitride nanotubes has been studied. Th e 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
