Molecular dynamics simulation of bending crack initiation and growth of single crystal aluminium
来源期刊：中国有色金属学报(英文版)2003年第z1期
论文作者：SHAN De-bin(单德彬) YUAN Lin(袁 林) GUO Bin(郭 斌)
文章页码：140 - 143
Key words：molecular dynamics simulation; bending crack; initiation; growth
Abstract: 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.
SHAN De-bin(单德彬), YUAN Lin(袁 , 林), GUO Bin(郭 斌)
(School of Materials Science and Engineering,
Harbin Institute of Technology, Harbin 150001, China)
Abstract: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.
Key words:molecular dynamics simulation; bending crack; initiation; growth
