Calculation assisted composition design of Fe-based amorphous alloys

作者：Zhang, Hua; Zeng, Jing; Liu, Tao^*; Ni, Hongwei^*

来源：Journal of Non-Crystalline Solids, 2023, 600: 122011.

DOI：10.1016/j.jnoncrysol.2022.122011

• Fe -based amorphous alloy
• Composition design
• Glass forming ability

Combining calculation to accelerate the composition design of Fe-based amorphous alloys is of paramount importance for diversifying the alloy systems and applications. In this study, the constituent elements in Fe-based amorphous alloys and the parameters affecting glass-forming ability (GFA) were statistically analyzed. Taking a simple FePC bulk amorphous alloy system as the model material, the ternary phase diagram and the parameters affecting GFA were carefully calculated. Accordingly, optimal FePC alloys with a critical diameter (dc) of 1.5 mm were obtained in the composition range of 78 <= Fe <= 80 and 11 <= P <= 13 at.%. This composition design strategy was further evaluated in FeCoNiPC alloy. The optimal Fe72-76Co3-6Ni1-4P13C7 (at.%) alloys exhibit an improved dc of 2 mm. These criteria are quite effective in accelerating the composition design of Fe-based amorphous alloys, and can also be extended to other multi-component alloy systems to discover high GFA amorphous alloys.