Healing effect of sub-Tg thermal cycling on a Cu64Zr36 metallic glass: a molecular dynamics simulation study

A Khan and SJ Zhao and JC Qiao and B Wang and GJ Lyu, PHYSICA SCRIPTA, 100, 115937 (2025).

DOI: 10.1088/1402-4896/ae1add

The healing effect of sub- Tg thermal cycling on the mechanical behaviour of CuZr metallic glass with pre-existing plastic deformation has been investigated using molecular dynamics simulations. Initially, a uniaxial tensile load was applied to induce strains of 5%, 10%, 15% and 20%. Subsequently, as-cast and deformed samples were subjected to thermal cycles below the glass transition temperature Tg . The potential energy and structural changes at the atomic level during deformation and thermal cycling were monitored. Additional tensile tests were conducted on as-cast, deformed, and thermally cycled samples to see the healing effect of thermal treatment. Results show that during deformation, the potential energy increases while the content of icosahedral drops. While these trends are reversed during the subsequent thermal cycles. Tensile tests reveal that the tensile strength drops with increasing level of initial deformation. Contrarily, thermal cycles restore the strength, resulting in a healing effect. Furthermore, deformation degrades the mechanical properties of materials in all directions, regardless of the applied loading direction that induces deformation.

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