双层铜金属薄膜纳米压痕机械性能的分子动力学模拟(英文)

Molecular Dynamics Simulation on the Nanoindentation Behavior of a Copper Bilayered Thin Film

多层金属薄膜的机械性质在纳米组件的设计上是非常重要的.目前,纳米尺度材料的机械性质测量的最主要方法为纳米压痕检测技术.本文应用分子动力学理论对双层铜金属薄膜界面的结构形态与特性进行分析探讨.选用FCC结构单晶铜的(100)面,(110)面和双层铜金属薄膜作为探讨界面性质的材料,进而探讨了单晶铜及双层铜金属薄膜的纳米压痕变形性质.

Understanding the mechanical properties of multilayered metal thin films is very important for their applications in nanoscale devices. Nanoindentation is one of the widely used tools for examining the mechanical properties of metal thin films. In the present study, molecular dynamics simulation was employed to investigate the nanoindentation behavior of a Cu（100）/Cu（110） bilayered thin film. The load-displacement response and the detailed deformation structure of the copper thin film during the nanoindentation were inspected and compared with those of Cu（100） and Cu（110） thin films. It was found that at the indenting stage the maximum indentation load of the bilayered thin film is lower than that of its ingredients, however, they have nearly the same maximum indentation load. At the retracting stage, the maximum attractive force of the bilayered thin film was found near that of its ingredients but occurred much earlier than the ingredients. The detailed deformation structure of the bilayered thin film was observed to be similar to that of the ingredients and correlated very well with the load-displacement response.