Interfacial bonding of CuZr metallic glass via oxide: A molecular dynamics study

M Zhang and HJ Cai and JC Zhang and QM Li and Y Wang and T Huang and JC Liu and XY Wang, CORROSION SCIENCE, 182, 109275 (2021).

DOI: 10.1016/j.corsci.2021.109275

A layer of oxygen is introduced into a Cu64Zr36 MG to achieve interfacial bonding. The oxidation kinetics, diffusion behavior, local structure, and mechanical performance of the oxide-bonded MG were investigated via molecular dynamics simulations. The growth of the oxide layer follows the inverse-logarithmic law, indicating that this process is controlled by the ionic drift through the oxide in response to electric fields. The introduction of oxygen atoms seriously deteriorates the short-range ordering of MG by suppressing the formation of icosahedral clusters. Uniaxial tensile tests indicate that the oxide- bonded MG has favorable ductility, while its ultimate tensile strength is reduced.

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