| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Phase Stability in Extreme Environments
|
| Presentation Title |
Effects of Aluminum Addition and Point Defects on Cr-rich α' Phase Stability in FeCrAl Alloys |
| Author(s) |
Jia-Hong Ke, Andrea Jokisaari |
| On-Site Speaker (Planned) |
Jia-Hong Ke |
| Abstract Scope |
FeCrAl alloys have been considered as candidate accident-tolerant fuel cladding materials for nuclear reactor applications. Recent experimental studies showed radiation-accelerated formation of α' in FeCrAl contributing to hardening and embrittlement, but it remains unclear how the ternary solute element affects the stability of α’ precipitates compared to the binary FeCr. In this work, the non-dilute chemical effect of Al on FeCr phase stability is studied by density functional theory and cluster expansion approaches. The simulation result shows a pronounced change of Cr solubility in bcc Fe by adding Al and the rejection of Al from the α’ precipitate. We also use the model to explore the vacancy defect as a potential nucleation site of Cr-rich clusters. The atomistic insight and the limitation of the study will be discussed. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Phase Transformations, Nuclear Materials |