Evidence of diffusion-controlled vitrification in Ni/Zr bilayer at medium temperatures by molecular-dynamics simulation

On the basis of an n-body potential, a molecular-dynamics simulation for a Ni/Zr bilayer with a preset disordered interfacial region was performed to investigate the vitrification process upon isothermal annealing at medium temperatures. Mutual diffusion and alloying between Ni and Zr layers were observed, which in turn resulted in a diffusion-controlled vitrification initiating from the interface. Meanwhile, the diffusivity of Ni was found to be greater than that of Zr in the amorphous interlayer through a brief estimation of their diffusion coefficients