A Full-Process Method from Composition Design to Glass Forming Ability Prediction in Zr-Al-Co-Cu Metallic Glasses

XY Wang and XY Jiang and YJ Chao and WM Hao and N Chen and S Yu and K Yin and Y Pang and DC Yu, MATERIALS TRANSACTIONS, 65, 1492-1500 (2024).

DOI: 10.2320/matertrans.MT-M2024115

In this paper, a systematic approach utilizing clusters and mixing entropy is proposed to design efficient glass-formers and evaluate glass forming ability (GFA) without relying on thermal properties' parameters. Firstly, under the guidance of this method, glass-formers in Zr-AlCo-Cu system were designed as mixtures of topologically packed Zr-Al, Zr-Co and Zr-Cu clusters. Among these, two novel clusters, namely a trigonal prism Co-Zr9 and an Archimedean octahedral anti-prism Co-Co2Zr8 were obtained and used. The best composition is Zr 55.79 Al 12.66 Co 7.74 Cu 23.81 , expressed as Cu (Cu7+Zr5)+0.867Co (Co2+Zr8)+0.851Al (Al4+Zr8), which exhibits a critical diameter of up to 10 mm. Additionally, based on this method, a novel parameter (2), independent of thermal properties' parameters, was proposed to predict the GFA of metallic glasses. The results indicate that the lower 2 value correlates with better GFA. Simultaneously, the average local fi ve-fold symmetry (ALFFS) from molecular dynamics (MD) simulations was employed to provide supplementary explanations for a few outlier points, further validating the proposed method's effectiveness. The fi ndings not only confirm the effectiveness of the clusters and mixing entropy approach in designing high-GFA metallic glasses, but also demonstrate the new parameter's potential in predicting GFA. This study provides important theoretical and practical guidance for optimizing the design of metallic glasses. doi:10.2320/matertrans.MT-M2024115

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