About this Abstract |
Meeting |
2025 TMS Annual Meeting & Exhibition
|
Symposium
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AI/Data Informatics: Computational Model Development, Verification, Validation, and Uncertainty Quantification
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Presentation Title |
Models of Magnetic Properties for Rapid Screening of Alternative Materials |
Author(s) |
Nam Q Le, Georgia Leigh, Elizabeth Pogue, Anna Langham , Michael Pekala, Vincent La, Douglas Trigg, Bianca Piloseno, Sebastian Lech, Christopher Stiles, Mitra Taheri |
On-Site Speaker (Planned) |
Nam Q Le |
Abstract Scope |
Identification of lower-risk, performant alternative magnetic materials would benefit the economics of solar cells, wind turbines, and electric vehicles. A long-standing bottleneck in this process is screening magnetic properties of novel candidates. Large material databases are now available with properties computed using density functional theory (DFT), but magnetic properties require special attention and are only available in much smaller databases. We will compare the ability of multiple model architectures to predict the saturation polarization and magnetocrystalline anisotropy. The predictions of saturation polarization correlate well with experimental measurements of samples we fabricated using arc melting. While models dedicated to anisotropy performed poorly, we find that anisotropy data can be exploited in multitask learning frameworks to significantly improve models of magnetic coercivity. These models enable screening of novel candidate material spaces based on composition alone, without prior knowledge of crystal structure, which could accelerate predictions of both hard and soft magnetic materials. |
Proceedings Inclusion? |
Planned: |
Keywords |
Machine Learning, Additive Manufacturing, Magnetic Materials |