| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Materials Processing Fundamentals
|
| Presentation Title |
Study of γ'-Fe4N Material Annealing through Molecular Dynamics Modeling |
| Author(s) |
Jianxin Zhu, Guannan Guo, Jian-Ping Wang |
| On-Site Speaker (Planned) |
Jianxin Zhu |
| Abstract Scope |
γ’-Fe4N thin film is considered as a potential precursor to synthesize α″-Fe16N2, which is a promising high saturation magnetization permanent magnetic material that could be attained from the decomposition of the high nitrogen content iron nitride at appropriate temperature. High temperature thermal annealing process of γ’-Fe4N material is studied using Molecular Dynamics (MD) modeling method. With Modified-Embedded-Atom-Method (MEAM) interatomic potential of Fe-N and bond forming/breaking MD simulation, the number of Nitrogen bonds formed is found to be insignificant. Results suggests the formation of N2 bonds requires high temperature and existing of lattice imperfections, i.e. where neighboring N atoms can be much closer than 2nd nearest-neighbor (2NN) distance. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Magnetic Materials, Thin Films and Interfaces, |