Data-Driven Insights into the Structural Essence of Plasticity in High-Entropy Alloys
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11837_2024_6753_ReferencePDF.pdf
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6.39 MB
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Author(s)
Tung, Chi-Huan
Chang, Shou-Yi
Bai, Zhitong
Fan, Yue
Yip, Sidney
Do, Changwoo
Chen, Wei-Ren
Date Issued
July 11, 2024
Journal
JOM
Publisher
Springer US
Citation
Tung, CH., Chang, SY., Bai, Z. et al. Data-Driven Insights into the Structural Essence of Plasticity in High-Entropy Alloys. JOM 76, 5755–5767 (2024).
Version
Author's final manuscript
Abstract
The heterogeneous mechanical response of a crystalline alloy with multiple principal elements was investigated using molecular dynamics simulations. The local configuration of the alloy in its quiescent state was characterized by the variables derived from the gyration tensor and the atomic electronegativity. A multivariate analysis identified the geometric and chemical factors that influenced the atomic packing variations. Upon straining, the non-affine displacement exhibited spatial heterogeneity. A statistical correlation was established between the local yield events and the specific features of the local configuration. Our findings, validated by the performance metrics analysis, provided a structural criterion for the instability mechanisms in high-entropy alloys (HEAs) and enhanced the understanding of their plasticity.
MIT Department
Massachusetts Institute of Technology. Department of Nuclear Engineering
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Creative Commons Attribution-Noncommercial-ShareAlike
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DOI of Published Version
https://doi.org/10.1007/s11837-024-06753-6
