| 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 |
First-principles Thermodynamics of Refractory Alloys and their Oxides |
| Author(s) |
Anton Van der Ven, Naga Sri Harsha Gunda, Anirudh Natarajan |
| On-Site Speaker (Planned) |
Anton Van der Ven |
| Abstract Scope |
Alloys containing group IV, V and VI refractory elements exhibit a rich variety of phases and intermetallic compounds. Refractory elements are unique in the way they interact with carbon, nitrogen and oxygen. Elements such as Ti, Zr and Hf are capable of dissolving very high concentrations of oxygen as interstitial species. Though not as extreme, other refractory elements such as V, Nb and Ta are also able to dissolve non-negligible concentrations of C, N and O. The ease with which refractory elements can dissolve interstitial species complicates experimental characterization of phase stability of refractory alloys. First-principles statistical mechanics approaches are able to shed light on the effect of dissolved interstitial species on phase stability and short-range ordering phenomena. In this talk we will describe how variations in oxygen chemical potentials can dramatically alter the phase diagrams of alloys containing refractory elements, even under reducing conditions. |
| Proceedings Inclusion? |
Undecided |