|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||High Entropy Alloys VI
||First-principles Calculations of Stacking Fault Energies in Quinary High-entropy Alloy Systems
||Alexandra Scheer, Joshua Strother, Chelsey Zacherl Hargather
|On-Site Speaker (Planned)
High Entropy Alloys (HEAs) are composed of equal or nearly equal quantities of five or more metals in a single solid solution phase. Because of improved resistance in high-temperature and high-stress applications, HEAs have the potential to replace traditional engineering alloy systems in the future. In the present work, first-principles calculations based on density functional theory are used to calculate and rank the stacking fault energy (SFE) of several quinary HEA systems in order to better understand the slip and deformation behavior of HEA systems. Special quasirandom structures are used to represent a random solution with a finite number of atoms, and calculations are performed within the generalized gradient approximation as implemented by Perdew, Burke, and Ernzerhof. FCC systems are investigated first, and various methods for calculating the SFE are reviewed. Computational results are compared to experimental data for well-studied HEA systems.
||Planned: Supplemental Proceedings volume