Molecular dynamics simulation of bending crack initiation and growth of single crystal aluminium

Molecular dynamics (MD) simulation was employed to research the mechanism of bending crack initiation and growth of single crystal aluminium. Bending model of single crystal Al was built by molecular dynamics technique, the bending crack initiation and growth was simulated with Morse potential. The results show that accumulation of strains energy produces the vacancy from the internal of crystal, cracks initiate from vacancy, and vacancy is combined to form nano-crack. Further growth of micro-crack is similar to that of macro-crack. Crack defect promotes crack initiation and growth.