About this Abstract |
Meeting |
TMS Specialty Congress 2025
|
Symposium
|
8th World Congress on Integrated Computational Materials Engineering (ICME 2025)
|
Presentation Title |
Design of Rare-Earth Free Permanent Magnetic Materials With Quantum Mechanics Methods: Fe-Ni-N(B) |
Author(s) |
Md Abdul Wahed, Chang-Dong Yeo, Yang-Ki Hong, Shuhui Li, Minyeong Choi, Woo-Young Lee, Haein Choi-Yim, Seok Bae |
On-Site Speaker (Planned) |
Md Abdul Wahed |
Abstract Scope |
Rare-earth (RE)-free PMs within the (BH)max range of 10-30 MGOe (namely Gap magnets) are receiving significant attention in scientific and technical communities to cope with the recent impetus toward green electrical power generation, EVs, and wind power. Using quantum mechanics methods, we recently designed Fe-Ni-N(B) permanent ferromagnetic materials that meet the requirements for gap magnets. We modified the lattice constant c/a ratio of L10 FeNi ferromagnetic materials by interstitially doping them with nitrogen (N) or boron (B), which resulted in the formation of tetragonally ordered Fe2Ni2N (or Fe2Ni2B). Then, we conducted first-principles calculations to investigate the doping effects on MS, Ku, and TC. It was found that 2p element doping significantly improved the magnetocrystalline anisotropy energy of L10-ordered FeNi. Our quantum mechanical design results show that FeNi-based alloys can be easily adjusted for their magnetocrystalline anisotropy by interstitial doping with 2p elements. |
Proceedings Inclusion? |
Undecided |