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Reducing experimental dependency: Machine-learning-based prediction of Co effects on the mechanical properties of AlCrFeNiCox high-entropy alloys
School of Materials Science and Engineering, Yeungnam University, Gyeongsan 38541, Republic of Korea; School of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon 16419, Republic of Korea.
Department of Materials Science and Engineering, Ajou University, Suwon 16419, Republic of Korea; Department of Mechanical Engineering, Ajou University, Suwon 16419, Republic of Korea; Department of Automation & Robotics Engineering, Prestige Institute of Engineering Management and Research, Indore 452010, India.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0002-3342-6257
Department of Mechanical Engineering, Prestige Institute of Engineering Management and Research, Indore 452010, India.
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2025 (English)In: Materials Today Communications, ISSN 2352-4928, Vol. 44, article id 112055Article in journal (Refereed) Published
Abstract [en]

This study applies machine learning (ML) methods, including XGBoost (XGB), random forest (RF), K-nearest neighbors (KNN), support vector regressor (SVR), and linear regression (LR), to predict the mechanical behavior of AlCrFeNiCox eutectic high-entropy alloys (EHEAs) with varying Co content. The objective is to reduce the dependence on experimental data, enabling the study of novel compositions more efficiently. XGB, RF, and KNN emerged as the top-performing models, achieving R2 values of 0.999, with their predictions closely aligned with experimental results. A new stress–strain curve was generated for a composition with a 0.6 molar ratio of Co, where XGB, RF, and KNN achieved R2 values of 0.996, 0.994, and 0.993, respectively. This ML-based approach significantly reduces the need for experimental testing, saving time, cost, and energy while accelerating the development of high-entropy alloys (HEAs).

Place, publisher, year, edition, pages
Elsevier BV , 2025. Vol. 44, article id 112055
Keywords [en]
Experimental dependency reduction, High-entropy alloys, Machine learning, Multicomponent alloys
National Category
Metallurgy and Metallic Materials Other Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-361167DOI: 10.1016/j.mtcomm.2025.112055ISI: 001440202600001Scopus ID: 2-s2.0-85219127728OAI: oai:DiVA.org:kth-361167DiVA, id: diva2:1944122
Note

QC 20250324

Available from: 2025-03-12 Created: 2025-03-12 Last updated: 2025-03-24Bibliographically approved

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Wagri, Naresh Kumar

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