Cu/Al浇铸界面连接及拉伸性能的分子动力学模拟

Molecular dynamics simulation of interface bonding and tensile properties of Cu/Al casting

基于分子动力学方法研究不同浇铸温度和浇铸时间对Cu/Al多层膜连接过程界面扩散的影响,从力学性能和位错滑移方面,对比研究不同浇铸时间和浇铸温度下Cu/Al多层膜的拉伸变形,揭示微观原子结构对金属薄膜力学性能的影响。结果表明:随着浇铸温度和浇铸时间增加,界面区域的Cu、Al原子相互扩散数目增多,过渡层厚度增大,Cu/Al多层膜屈服强度和抗拉强度随浇铸时间增加先增加后降低,在浇铸温度为1013 K、浇铸时间为0.2 ns时,Cu/Al多层膜的力学性能最佳。

The effects of different casting temperature and casting time on the interfacial diffusion of Cu/Al multilayer films were studied based on the molecular dynamics method.The tensile deformation of Cu/Al multilayer films under different casting time and casting temperature was compared from the aspects of mechanical properties and dislocation slip,and the effects of microatomic structure and the mechanical properties of metal films were revealed.The results show that the thickness of transition layer and the number of Cu and Al atoms diffusing each other near the interface both increase with the increase of casting temperature and casting time.The yield strength and tensile strength of Cu/Al multilayer films also increase at first and then decrease with the increase of casting temperature and casting time.When the casting temperature is 1013 K and the casting time is 0.2 ns,the mechanical properties of Cu/Al multilayers are the best.