Molecular dynamics simulations of diameter dependence tensile behavior of silicon carbide nanotubes

Molecular dynamics simulations with Tersoff potentials were used to study the response of single crystalline SiC nanotubes under tensile strain. The results show that the nanotubes deform through bond-stretching and breaking. The mechanical properties show less dependence on the diameter of nanotubes with the same wall-thickness, while the wall-thickness will affect the mechanical behavior of SiC nanotubes. A detailed analysis shows that the ratio between surface atoms and inner atoms is a key factor to affect the mechanical behavior of SiC nanotubes.