单晶铜弯曲裂纹萌生和扩展的分子动力学模拟  

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

作　　者：单德彬[1] 袁林[1] 郭斌[1] 

机构地区：[1]哈尔滨工业大学材料科学与工程学院,黑龙江哈尔滨150001

出　　处：《哈尔滨工业大学学报》2003年第10期1183-1185,共3页Journal of Harbin Institute of Technology

基　　金：国家自然科学基金资助项目(50275033);国家高技术研究发展计划资助项目(863-2002AA404060);哈尔滨工业大学跨学科交叉性研究基金资助项目(HIT.MD2001.15).

摘　　要：为了在微观尺度上研究单晶铜的弯曲裂纹萌生和扩展机理,建立了单晶铜弯曲变形的分子动力学模型,应用速度标定法控制温度,采用Morse势进行了单晶铜的弯曲变形分子动力学模拟.研究表明:应变能的不断积累使晶体内部产生空位,材料的裂纹萌生于空位,空位的合并形成纳米级裂纹,后续微观裂纹的扩展类似于宏观裂纹;裂纹缺陷促进了裂纹的萌生和扩展.In order to research the crack initiation and growth of single crystal copper at microscale, a bending model of single crystal copper was built through molecular dynamics simulation, the velocity scaling method was adopted to keep the temperature of system constant, Morse potential was used to carry out molecular dynamics simulation of bending of single crystal copper. The results show that accumulation of strains energy produces the vacancy from the internal of crystal, crack is initiated 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.

关 键 词：单晶铜 弯曲裂纹 萌生 扩展 分子动力学模拟 模型 凹槽 

分 类 号：TG146.11[一般工业技术—材料科学与工程]