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Tomography-based digital twin of Nd-Fe-B permanent magnets
npj Computational Materials ( IF 9.7 ) Pub Date : 2024-02-12 , DOI: 10.1038/s41524-024-01218-5
Anton Bolyachkin , Ekaterina Dengina , Nikita Kulesh , Xin Tang , Hossein Sepehri-Amin , Tadakatsu Ohkubo , Kazuhiro Hono

Many functional materials have been designed at the multiscale level. To properly simulate their physical properties, large and sophisticated computer models that can replicate microstructural features with nanometer-scale accuracy are required. This is the case for permanent magnets, which exhibit a long-standing problem of a significant offset between the simulated and experimental coercivities. To overcome this problem and resolve the Brown paradox, we propose an approach to construct large-scale finite element models based on the tomographic data from scanning electron microscopy. Our approach reconstructs a polycrystalline microstructure with actual shape, size, and packing of the grains as well as the individual regions of thin intergranular phase separated by triple junctions. Such a micromagnetic model can reproduce the experimental coercivity of ultrafine-grained Nd-Fe-B magnets along with its mechanism according to the angular dependence of coercivity. Furthermore, a remarkable role of thin triple junctions as nucleation centers for magnetization reversal is revealed. The developed digital twins of Nd-Fe-B permanent magnets can assist their optimization toward the ultimate coercivity, while the proposed tomography-based approach can be applied to a wide range of polycrystalline materials.

更新日期:2024-02-13
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