|About this Abstract
||2020 TMS Annual Meeting & Exhibition
||High Entropy Alloys VIII
||Ab Initio Phase Stabilities of High Entropy and Chemically Complex Alloys
||Yuji Ikeda, Prashanth Srinivasan, Biswanath Dutta, Jörg Neugebauer, Blazej Grabowski, Tatiana Kostiuchenko, Alexander Shapeev, Fritz Koermann
|On-Site Speaker (Planned)
Concentrated solid solutions alas high entropy alloys are often characterized by a large configurational entropy. However, as in any realistic alloy, other contributions such as lattice vibrations, magnetic fluctuations as well as chemical short-range order or defects are also often crucial in determining their phase stability and materials properties. Capturing these contributions with high accuracy from first-principles calculations is extremely challenging. In this talk I will give an overview over the recent developments and advances including applications of machine learning techniques. Examples include computations of full vibrational free energies including anharmonicity and short-range order calculations for selected multicomponent alloys. Based on this I will discuss routes to optimize the mechanical properties, e.g., via modifying stacking fault energies by tuning the composition or by interstitial alloying.
||Planned: Supplemental Proceedings volume; Planned: Supplemental Proceedings volume