Molecular-dynamic investigation of the initial failure of the crystal structure at the external cyclic uniaxial extension

Abstract

The paper deals with the molecular-dynamic simulation of the cyclic uniaxial tension of a nano-sized rod. The external action is described as follows: Vx = V0 sin (ωt). The criterion of the damage beginning (beginning of the crystal structure failure) has been found: there is the critical value of the atomic plane dispersion; as it is exceeded, irreversible changes occur in the nano-sized rod crystal structure.