Designing Laves-phase RFe2-type alloy with excellent magnetostrictive performance by physics-informed interpretable machine learning

Laves-phase RFe2-type (R = rare earth) magnetostrictive materials have tremendous application potential in smart devices. However, efficiently unearthing novel RFe2-type compounds with huge magnetostriction in experiments remains challenge due to the vast compositional space. Herein, we employ a phy...

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Bibliographic Details
Main Authors: Pengqiang Hu, Chao Zhou, Ruisheng Zhang, Sidan Ding, Yuanjun Guo, Bo Wang, Dezhen Xue, Yizhe Ma, Zhiyong Dai, Yin Zhang, Fanghua Tian, Sen Yang
Format: Article
Language:English
Published: Elsevier 2025-04-01
Series:Materials & Design
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Online Access:http://www.sciencedirect.com/science/article/pii/S0264127525002199
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Summary:Laves-phase RFe2-type (R = rare earth) magnetostrictive materials have tremendous application potential in smart devices. However, efficiently unearthing novel RFe2-type compounds with huge magnetostriction in experiments remains challenge due to the vast compositional space. Herein, we employ a physics-informed interpretable machine learning-based strategy to facilitate the design of targeted alloys. A home-built dataset is obtained through constructing composition-physical parameters-magnetostriction relationship. By comparing different models, the XGBoost (XGB) regression model is selected to predict magnetostriction of quaternary TbxDy1-xFeyV2-y alloys. The results demonstrate that the optimal performance occurs in the composition range of 0.23–0.38 for Tb content and 0.01–0.08 for V content. The predicted properties are then verified by the measured results of a series of synthesized samples. Additionally, a model interpretability based on SHapley Additive exPlanations (SHAP) values manifests that volume magnetic susceptibility and bulk modulus exert the greatest impact on magnetostriction. This work offers a recipe to swiftly designing RFe2-type materials with giant magnetostriction.
ISSN:0264-1275