|About this Abstract
||2020 TMS Annual Meeting & Exhibition
||High Entropy Alloys VIII
||The Stacking Fault Energies of FCC High-entropy Alloys: An ab initio Study
||Zongrui Pei, Jeffrey A. Hawk, David E. Alman, Michael C. Gao
|On-Site Speaker (Planned)
The stacking fault energies (SFEs) are one of the most important factors in determining the mechanical properties of metals and alloys. In this study, we calculate the SFEs of a number of FCC high-entropy alloys (HEAs) based on Co-Cr-Fe-Ni system w/o Mo using ab initio methods. Our results reveal fantastic effects of the elements on SFEs: (i) increasing the concentration of Ni increases the negative SFEs up to almost zero, while (ii) increasing the concentration of Mo dramatically decreases the already negative SFEs. The point (i) indicates that the HCP (hard phase) and FCC (soft phase) structures are almost equal in energy and phase stability at 0K, which attracts us to further calculate the phase transition pressure. In addition, the connection between our ab initio results and the mechanical properties of the HEAs are also extensively studied using multi-scale models.
||Planned: Supplemental Proceedings volume; Planned: Supplemental Proceedings volume