Atomistic measure of the strength of MgO nanorods

Molecular dynamics (MD) simulations were employed to study material response of MgO nanorod subjected to uniaxial tension loading. The simulations show in detail the atomic-scale mechanism of the deformation and failure process during tension. The effects of strain rate, system size and environment temperature on the strength of MgO nanorods are observed. It is found that the materials appear more ductile at lower strain rate, and the tensile strength of the nanorod decreases as the diameter of system cross-section decreases and as temperature increases.