Mechanical response of ZrxCu100-x layer on Cu(001) substrate using molecular dynamics

The molecular dynamics simulations method is applied to survey the deposition and annealing processes of ZrxCu100-x film on a Cu(001) surface. The influences of ZrxCu100-x compositions and depths on the force, deformation behavior, pile-up, and hardness are investigated using nano scratching and nanoindentation processes. We find out that the structure of ZrxCu100-x alloy has stability increases when decreasing the Zr content. The surface roughness of Zr-Cu film increases when improving the Zr content. After annealing, the morphology surface of the Zr-Cu amorphous alloy becomes smoother. The scratching forces and average friction coefficient of the Zr20Cu80 film surge as the scratching depth rises. While the pile-up height, normal force, and friction force decrease as increasing the Zr ratio. Under the plastic and elastic deformations, shear transformation zones are formed in the Zr-Cu amorphous film. While in the nanoindentation process, the hardness of ZrxCu100-x film amorphous film tends to decrease when increasing the Zr content.

Automated summary

Using molecular dynamics simulations, it is found that decreasing the Zr content in the ZrxCu100-x alloy increases structural stability and hardness, while increasing Zr content leads to increased surface roughness but improved smoothness after annealing.