|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Atomistic Simulations
||Computational Approach to the Magnetic Properties of Ga-added Nd-Fe-B Sintered Magnets
||Yasutomi Tatetsu, Shinji Tsuneyuki, Yoshihiro Gohda
|On-Site Speaker (Planned)
As reported in several experimental studies for Nd-Fe-B magnets , adding Ga into Nd-Fe-B magnets increases the coercivity. Nd6Fe13Ga exists around the interface of coercivity-improved Nd-Fe-B magnets. We calculated the magnetic anisotropy K1 of Nd in Nd2Fe14B/Nd6Fe13Ga grain-boundary (GB) model from first principles to understand the relationship between coercivity and the Nd6Fe13Ga existence around the interface of Nd-Fe-B magnets. We used the computational code OpenMX . From the analysis of the magnetic anisotropy K1 of Nd at the interface, we find K1 of GB model systems is much higher than K1 of Nd which is exposed to vacuum at surface. Especially K1 of the several GB model systems is comparable to that of the Nd2Fe14B bulk. This K1 improvement suggests the importance of the Nd6Fe13Ga existence around the interface of Nd-Fe-B magnets to get higher coercivity.
 T. T. Sasaki et al., Scripta Mater. 133, 218 (2016).
||Planned: Supplemental Proceedings volume