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Research Advances in Data-Driven Sm-Co-Based Rare-Earth Permanent Magnet Alloys Design
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Hao LU, Guojing XU, Peixin LIU, Chongyu HAN, Kai GUO, Dong LIU, Xiaoyan SONG
Journal of the Chinese Ceramic Society | 2026, 54(1) : 49 - 69
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Journal of the Chinese Ceramic Society | 2026, 54(1): 49-69
• Special Issue on AI for Materials—Review •
Research Advances in Data-Driven Sm-Co-Based Rare-Earth Permanent Magnet Alloys Design
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Hao LU, Guojing XU, Peixin LIU, Chongyu HAN, Kai GUO, Dong LIU, Xiaoyan SONG
Affiliations
  • State Key Laboratory of Materials Low-Carbon Recycling, Key Laboratory of Advanced Functional Materials, MOE, College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124, China
  • LU Hao (1990-), male, Ph.D., Associate Professor.

About Author:

LU Hao (1990-), male, Ph.D., Associate Professor.

Published: 2026-01-20 doi: 10.14062/j.issn.0454-5648.20250793
Outline
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Samarium-Cobalt (Sm-Co) based rare-earth permanent magnets are critical materials for high-technology applications, particularly in aerospace and defense systems, due to their unmatched high-temperature performance, including an exceptional Curie temperature and superior magnetic stability under extreme operating conditions. However, optimizing their comprehensive magnetic properties remains a challenge, hindering by the inefficiency of traditional trial-and-error methodologies. The emergence of a new research paradigm, integrating computational modeling and data-driven science, is now powerfully addressing the trial-and-error limitations. This review comprehensively examines key advancements in this field. Traditional computational materials science methods, including thermodynamic calculations via the CALPHAD approach and nanoscale thermodynamic modeling, have enabled accurate predictions of phase equilibria and metastable phase stability in multicomponent alloys. First-principles calculations have provided atomic-level insights into the electronic structure origins of magnetocrystalline anisotropy and the mechanistic role of transition metal doping in tuning magnetic properties and phase stability. This review highlights the transformative impact of data-driven and AI strategies. By constructing high-quality databases for Sm-Co-based alloys and employing advanced machine learning (ML) algorithms, researchers have achieved high-throughput prediction and multi-objective optimization of key properties such as saturation magnetization, coercivity, Curie temperature, and phase constitution. The application of multi-objective optimization strategies successfully breaks the inherent trade-off between saturation magnetization and coercivity, leading to the discovery of novel compositions with superior comprehensive magnetic properties. The development of user-friendly intelligent design systems has significantly lowered the barrier for employing these AI methods and tools in practical magnet design. The coupling of multi-scale simulations (e.g., DFT, micromagnetic modeling) with active learning frameworks also presents a promising pathway for building physically informed and data-efficient models, marking a significant step towards inverse design. These data-driven models have successfully guided the experimental synthesis of novel nanocrystalline Sm-Co-based alloys with superior magnetic performance, validating this modern AI approach.

Summary and prospects

Despite the significant progress, the full potential of data-driven and AI methodologies in Sm-Co-based permanent magnet research is yet to be realized. To overcome existing challenges and harness future opportunities, the following prospects are proposed.

1) Enhancing Physical Interpretability of ML Models. Future research should go beyond treating machine learning as a "black-box" predictive tool and place greater emphasis on the physical interpretability of models. On one hand, efforts should be made to actively develop feature descriptors that integrate physical priors and domain knowledge such as magnetism theory and crystal field theory. On the other hand, while continuing to deepen the application of interpretable AI techniques like SISSO and SHAP to quantify the contributions of different features to performance, in-depth research should be conducted to explore the application of new algorithms and optimization strategies such as neural networks. Exploring hybrid models that embed constraints and relationships derived from first-principles calculations and micromagnetic simulations will be crucial for predictions in physical reality.

2) Developing Frameworks for Multi-Source Data and Transfer Learning. The data generated from research on rare-earth permanent magnetic alloys are typical multi-source heterogeneous data, including numerically computed and experimentally measured values, microstructural images, where the microstructure significantly influencing magnetic properties. Future work should leverage deep learning to create unified, machine-readable representations of this diverse data. On this basis, cross-scale transfer learning methods and active learning approaches should be developed to prevent traditional machine learning methods from falling into the traps of overfitting and local optima in small-sample scenarios.

3) Establishing Closed-Loop Inverse Design Systems. The ultimate goal of data-driven approaches is to achieve target-performance-oriented intelligent research and development. Future efforts should focus on constructing an automated intelligent pipeline for inverse design and automated validation. Driven by target performance, this system utilizes conditional generative models to automatically generate candidate compositions and process schemes that meet the requirements. These candidate solutions are then fed into a multi-scale computational chain for simulation validation and optimization. The computational results are fed back as new data into the database and machine learning loops, enabling continuous iteration and optimization of design strategies.

4) Pursuing Data-Assisted Sustainable and Economic Alternatives. By constructing a database incorporating substitution elements, this approach predicts the impact of partially replacing Sm with high-abundance rare-earth elements such as Ce/La on magnetic properties. The goal is to enhance the utilization of high-abundance rare-earth elements while ensuring high performance, thereby developing new cost-effective composition systems. Furthermore, by comprehensively considering factors such as manufacturing processes, raw material costs, and performance merits, novel low-carbon and environmentally friendly rare-earth permanent magnetic alloy systems can be designed.

data-driven  /  machine learning  /  rare-earth permanent magnet alloys  /  computational materials science  /  phase stability  /  magnetic properties
吕皓, 许国婧, 刘培鑫, 韩崇宇, 郭凯, 刘东, 宋晓艳. 数据驱动的Sm-Co基稀土永磁合金研究进展. 硅酸盐学报, 2026 , 54 (1) : 49 -69 . DOI: 10.14062/j.issn.0454-5648.20250793
Hao LU, Guojing XU, Peixin LIU, Chongyu HAN, Kai GUO, Dong LIU, Xiaoyan SONG. Research Advances in Data-Driven Sm-Co-Based Rare-Earth Permanent Magnet Alloys Design[J]. Journal of the Chinese Ceramic Society, 2026 , 54 (1) : 49 -69 . DOI: 10.14062/j.issn.0454-5648.20250793
Year 2026 volume 54 Issue 1
43
7
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Article Info
doi: 10.14062/j.issn.0454-5648.20250793
  • Receive Date:2025-10-31
  • Online Date:2026-10-27
  • Published:2026-01-20
Article Data
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History
  • Received:2025-10-31
  • Revised:2025-11-20
Funding
Affiliations
    State Key Laboratory of Materials Low-Carbon Recycling, Key Laboratory of Advanced Functional Materials, MOE, College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124, China

Corresponding:

LU Hao (1990-), male, Ph.D., Associate Professor. E-mail:
SONG Xiaoyan (1970-), female, Ph.D. Professor. E-mail:
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表12种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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