Enhanced plastic deformation in amorphous alloys via synergistic effects of hydrogen doping and rejuvenation

Z Yu and P Wang and XF Tang, INTERMETALLICS, 183, 108812 (2025).

DOI: 10.1016/j.intermet.2025.108812

Amorphous alloys have gained substantial attention due to their exceptional physical and chemical properties. However, their brittleness at room temperature has limited their widespread application. This study investigated the synergistic effects of hydrogen doping and rejuvenation on the plastic deformation capability of amorphous alloys using molecular dynamics simulations. It was revealed that low contents of hydrogen doping can significantly enhance the plastic deformation capability of amorphous alloys. However, an excessive amount of hydrogen doping could lead to a reduction in both the strength and plasticity of amorphous alloys. Cyclic shear treatment promotes the rejuvenation of amorphous alloys by increasing free volume. The synergistic of hydrogen doping and rejuvenation could further improve the plasticity of amorphous alloys. Voronoi analysis reveals that the synergistic of hydrogen doping and rejuvenation induces the rearrangement of microstructure of amorphous alloys, reduces the content of ordered clusters and increases the proportion of disordered structures. Thereby the occupancy of hydrogen atoms and the overall energy state of amorphous alloys were affected. By controlling the content of hydrogen doping and the synergistic with cyclic shear rejuvenation, the mechanical properties of amorphous alloys can be effectively regulated, offering new insights for the application of amorphous alloys.

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