Robustness of machine learning predictions for Fe-Co-Ni alloys prepared by various synthesis methods

Developing high-performance alloys is essential for applications in advanced electromagnetic energy conversion devices. In this study, we assess Fe-Co-Ni alloy compositions identified in our previous work through a machine learning (ML) framework, which used both multi-property ML models and multi-objective Bayesian optimization to design compositions with predicted high values of saturation magnetization, Curie temperature, and Vickers hardness. Experimental validation was conducted on two promising compositions synthesized using three different methods: arc melting, ball milling followed by spark plasma sintering (SPS), and chemical synthesis followed by SPS. The results show that the experimental property values of arc melted samples deviated less than 14% from predicted values. This work further explains how structural variations across synthesis methods impact property behavior, validating the robustness of ML-predicted compositions and highlighting a pathway for integrating processing conditions into alloy development.

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Publication Details

Journal
iScience
Published
2024-12-12
DOI
https://doi.org/10.1016/j.isci.2024.111580
Citations
4
Primary Topic
Microstructure and Mechanical Properties of Steels
Type
article
Field-Weighted Citation Impact
0.85

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article

Robustness of machine learning predictions for Fe-Co-Ni alloys prepared by various synthesis methods

Li Ping Tan, Varun Chaudhary, Karl Peter Davidson, Soumya Ranjan Mishra et al.
4 citations
iScience
Microstructure and Mechanical Properties of Steels
0.85
article

Robustness of machine learning predictions for Fe-Co-Ni alloys prepared by various synthesis methods

Li Ping Tan, Varun Chaudhary, Karl Peter Davidson, Soumya Ranjan Mishra, Xuesong Xu, Shakti P. Padhy, R.V. Ramanujan
article en
4 citations

Abstract

Developing high-performance alloys is essential for applications in advanced electromagnetic energy conversion devices. In this study, we assess Fe-Co-Ni alloy compositions identified in our previous work through a machine learning (ML) framework, which used both multi-property ML models and multi-objective Bayesian optimization to design compositions with predicted high values of saturation magnetization, Curie temperature, and Vickers hardness. Experimental validation was conducted on two promising compositions synthesized using three different methods: arc melting, ball milling followed by spark plasma sintering (SPS), and chemical synthesis followed by SPS. The results show that the experimental property values of arc melted samples deviated less than 14% from predicted values. This work further explains how structural variations across synthesis methods impact property behavior, validating the robustness of ML-predicted compositions and highlighting a pathway for integrating processing conditions into alloy development.

iScienceVol. 28(1)
Nanyang Technological University (SG), Indian Institute of Technology Madras (IN), Nanjing University of Science and Technology (CN), Chalmers University of Technology (SE)
National Research Foundation, Agency for Science, Technology and Research, National Research Foundation Singapore, Nanyang Technological University, Chalmers Tekniska Högskola
Openalex Percentile: Top 29%
Microstructure and Mechanical Properties of Steels
0.85
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