|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||High Entropy Alloys VI
||First-principles Calculations of Stacking Fault Energies in Refractory BCC High-entropy Alloy Systems
||Joshua Strother, Alexandra Scheer, Chelsey Zacherl Hargather
|On-Site Speaker (Planned)
High Entropy Alloys (HEAs) are alloys of five or more elements of roughly equiatomic composition that solidify as a single solid solution phase. Due to their unusual structure and composition, HEAs have several potentially favorable properties. These properties such as high service temperatures, high strength, and high ductility are desirable for many high performance applications. In the present work, first-principles based calculations using density functional theory (DFT) are used to analyze several BCC HEA systems. BCC special quasirandom structures and the generalized gradient approximation, as implemented by Perdew, Burke, and Ernzerhof, are used to calculate the energy of the solid solutions. Stacking fault energies (SFE) are calculated from the DFT data and used to model the effect of SFE on slip and ultimately alloy strength. Refractory BCC HEAs are investigated with high temperature applications held in consideration. Computational results are compared to experimental data validate the methodology.
||Planned: Supplemental Proceedings volume