Molecular Dynamics Simulation of Healing of an Ellipsoid Crack in Copper Crystal Under Compressive Stress
Cu晶体内椭球裂纹愈合的三维分子动力学模拟

The molecular dynamics method is used to simulate healing of an ellipsoid crack inside single crystal copper under compressive stress with EAM potential. The result shows that dislocations are emitted firstly from the ellipsoid crack and move along the (1(?)1) and ((?)11) planes under a constant compressive stress of 342 MPa. The ellipsoid crack becomes smaller and smaller until it is healed through dislocation emission, motion, and annihilation on the surfaces. After crack healing, there are a residual dislocation net and some vacancy sites. It seems that the cavity inside the ellipsoid crack is transferred to the surfaces through dislocation emission, motion, and annihilation. In the same time, the crystal undergoes large plastic deformation and the surfaces become rough because of dislocation annihilation.