| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys II
|
| Presentation Title |
First-principles Study of the Phase Stability and Secondary Phase Formation in the AlxCoCrFeNi High-entropy Alloys |
| Author(s) |
Chin-Lung Kuo |
| On-Site Speaker (Planned) |
Chin-Lung Kuo |
| Abstract Scope |
We employed first-principles calculations to investigate the phase stability and secondary phase formation in the AlxCoCrFeNi HEA. Our calculations first revealed that the AlxCoCrFeNi HEA preferred to stay in A1 rather than in A2 structure as it was in a random-solid-solution configuration even with a Al content greater than x=2.0. As the Al content reached x=0.3, Ni3Al(L12) was favored to precipitate from the FCC matrix, where the Cr atoms were homogeneously distributed in the HEA lattice. As the Al content was increased up more than x=0.5, however, NiAl(B2)+FeCo(B2) precipitates started to become energetically more favorable than Ni3Al(L12) with the surrounding BCC Cr segregated out from the HEA matrix. Our calculations further revealed that the short-ranged order of Cr can play a critical role in determining the preferred secondary phase formation in the AlxCoCrFeNi HEA, which may also have strong influence on the nucleation paths of sigma phase at elevated temperatures. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Modeling and Simulation, Phase Transformations |