First‐Principles Study on Stacking Fault Energy of Disordered γ-Fe1 − xMnx with Antiferromagnetic Configuration
- Resource Type
- Article
- Authors
- Xin Cui; Jinkai Wang; Hao Wang; Xiao‑Gang Lu; Jun Jiang
- Source
- Metals and Materials International, 28(5), pp.1215-1223 May, 2022
- Subject
- 재료공학
- Language
- English
- ISSN
- 2005-4149
1598-9623
The stacking fault energy (SFE) of Fe-Mn alloys is studied by first-principles calculations with chemical disorder and order,nonmagnetic (NM) and antiferromagnetic (AFM) configurations. It is found that Mn atom has a short-range effect on bothnonmagnetic and antiferromagnetic stacking faults (SF) plane. Mn atom reduces the intrinsic stacking fault energy (ISFE)and unstable stacking fault energy (USFE) when it is in the vicinity of the SF plane. Short-range effect is 42% in AFM configurationlarger than 12.6% in NM configuration when Mn atom is on SF plane. The phenomenon of generalized stackingfault energy (GSFE) curve and short-range effect are investigated by topological analysis and electron structures respectively. Furthermore, the twinning tendency is proven to be stronger in AFM γ-FeMn with increasing Mn concentration than otherdeformation mechanisms.