Atomistic insights into the influence of Y element on the amorphization behavior of dual-phase Mg alloys

Molecular dynamics simulations are performed to investigate the effect of the interface structure, diffusion time and diffusion temperature on the diffusion behavior and amorphization mechanism of the dual -phase Mg alloys. The results indicate that there is a critical concentration of Y element in the amorphous/crystalline interface (ACI), which depends on the interface structure and temperature. And when the concentration of Y atoms in the ACI is higher than the critical concentration, the ACI will migrate towards the crystalline side, accompanied by the amorphization of the crystalline layer. In addition, it is found that the presence or absence of Y element in the amorphous layer has a significant impact on the amorphous layer thickness of the alloys. For the alloys containing Y atoms, the amorphous layer thickness increases with the increase of diffusion temperature and diffusion time.