|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Hume-Rothery Award Symposium: Thermodynamics of Materials
||First-principles Modelling of Grain Boundary Phase in Nd-Fe-B Permanent Magnet
||Ying Chen, Arkapol Saengdeejing, Masashi Matsuura, Satoshi Satoshi Sugimoto
|On-Site Speaker (Planned)
The relation between coercivity and phase stability in the grain boundaries of Nd-Fe-B has drown a great attention in developing the advanced permanent magnetic materials. A disordered fcc-NdOx phase found at the grain boundary of Nd-Fe-B is believed to take an important role in coercivity generation. The formation mechanism of this NdOx has been explored based on the LSDA+U combing the Cluster Expansion Method (CEM). Systematic calculations revealed a sequent fcc-based structures formed by introducing oxygen vacancies into NdO are stable in almost all 0-50% oxygen concentration range although the most stable state of Nd-O is a hcp-based structure. Cu is another important component in the grain boundaries of Nd-Fe-B which was reported to be favorite for increasing coercivity. The existing state and the effect on magnetic properties of Cu has been further investigated.
||Planned: A print-only volume