About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
High Entropy Alloys VIII
|
| Presentation Title |
J-45: Impact of Interstitial Alloying on Stacking-fault Energies in High-entropy Alloys from First Principles |
| Author(s) |
Yuji Ikeda, Jörg Neugebauer, Fritz Körmann |
| On-Site Speaker (Planned) |
Yuji Ikeda |
| Abstract Scope |
High-entropy alloys (HEAs) show remarkable mechanical properties. Stacking-fault energies (SFEs) have been successfully used as a descriptor to link atomic simulations to the macroscopic deformation mechanisms that are behind the superior mechanical performance to atomistic simulations. We study interstitial alloying in 3d-transition-element-based HEAs and its impact on SFEs using first-principles calculations. For face-centered cubic (FCC) CrMnFeCoNi, C is found to increase the SFE, while even qualitatively different trends are found for other HEAs. This demonstrates the possibility to tune the SFEs of HEAs by interstitial alloying. The C solution energies in FCC CrMnFeCoNi strongly vary depending on the specific local chemical environment of the C atoms. This also emphasizes the strong potential impact of chemical short-range order on interstitially alloyed HEAs. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume; Planned: Supplemental Proceedings volume |