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Machine Learning Approaches for Predicting Mechanical Performance and Reducing Experimentation in Refractory High-Entropy Alloys
Yeungnam Univ, Sch Mat Sci & Engn, 280 Daehak Ro, Gyongsan 38541, Gyeongbuk, South Korea; Indian Inst Technol Delhi, Dept Mat Sci & Engn, New Delhi 110016, India.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Process.ORCID iD: 0000-0002-3342-6257
Indian Inst Technol Delhi, Dept Mat Sci & Engn, New Delhi 110016, India.
Yeungnam Univ, Sch Mat Sci & Engn, 280 Daehak Ro, Gyongsan 38541, Gyeongbuk, South Korea; Yeungnam Univ, Inst Mat Technol, Gyongsan 38541, South Korea.
2025 (English)In: Advanced Engineering Materials, ISSN 1438-1656, E-ISSN 1527-2648, Vol. 27, no 12Article in journal (Refereed) Published
Abstract [en]

In recent years, high-entropy alloys (HEAs) are attracting significant attention owing to their distinctive design adaptability and exceptional properties. Herein, machine learning methods namely extra tree (ET), K-nearest neighbors (KNN), random forest (RF), support vector regressor, and linear regression are utilized to predict the mechanical properties of MoNbTaTiVAlx refractory HEAs across varying compositions and temperatures. By doing so, the study aims to minimize the dependence on experimental testing. Among the models, ET, RF, and KNN exhibit superior predictive performance, achieving R2 values of 0.998 which closely align with experimental results. Additionally, a new stress-strain curve is generated for an aluminium composition of 0.4, with the ET, RF, and KNN models maintaining high predictive accuracy with R2 values of 0.985, 0.978, and 0.97, respectively. This innovative application of machine learning significantly reduces the need for exhaustive experimental testing, resulting in considerable savings in resources and accelerating advancements in HEA research and development.

Place, publisher, year, edition, pages
Wiley , 2025. Vol. 27, no 12
Keywords [en]
high-entropy alloys, machine learning, mechanical behavior of material, predictive analysis
National Category
Metallurgy and Metallic Materials
Identifiers
URN: urn:nbn:se:kth:diva-364257DOI: 10.1002/adem.202403052ISI: 001477033300001Scopus ID: 2-s2.0-105003568363OAI: oai:DiVA.org:kth-364257DiVA, id: diva2:1965574
Note

QC 20251010

Available from: 2025-06-09 Created: 2025-06-09 Last updated: 2025-10-10Bibliographically approved

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Wagri, Naresh Kumar

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