| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Hume-Rothery Symposium: Thermodynamics, Phase Equilibria and Kinetics for Materials Design and Engineering
|
| Presentation Title |
A Hexagonal Close Packed Multi-principal-element Alloy Identified Computationally |
| Author(s) |
Axel van de Walle, Ruoshi Sun, Qijun Hong, Julian Sabisch, Andrew Minor, Mark D. Asta |
| On-Site Speaker (Planned) |
Mark D. Asta |
| Abstract Scope |
In this work we have considered the design of alloy solid solutions that can mimic the excellent combination of mechanical properties displayed by elemental rhenium, but with reduced cost. Based on consideration of deformation mechanisms in rhenium, we develop a design principle that trades off average valence electron count and cost considerations, identifying a promising pool of candidate substitute alloys: the Mo-Ru-Ta-W quaternary system. We demonstrate how this picture can be combined with a computational thermodynamics model of phase stability, based on high-throughput ab initio calculations, to further narrow down the search and deliver alloys that maintain rhenium’s desirable hcp crystal structure. This thermodynamic model is validated with comparisons to known binary phase diagrams sections and corroborated by experimental synthesis and structural characterization demonstrating multi-principle-element hcp solid-solution samples selected from a promising composition range. |
| Proceedings Inclusion? |
Undecided |