About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
High Entropy Alloys VIII
|
Presentation Title |
J-22: Atomic Scale Modeling of Hydrogen Accommodation and Transport in BCC Refractory High Entropy Alloys |
Author(s) |
Simon C. Middleburgh, Daniel M King |
On-Site Speaker (Planned) |
Simon C. Middleburgh |
Abstract Scope |
Experimentally, a number of high entropy alloys have been observed to be able to accommodate large amounts of hydrogen that can be readily retrieved through heating to specific release temperatures. The migration and release mechanisms of hydrogen in two classes of high entropy alloy: Hf-Nb-Ta-Ti-Zr and the other Nb-Ti-V-Zr, are investigated using temperature dependent density functional theory methods. Additionally, the influence of radiation damage on the quaternary composition is investigated using a combination of density functional theory and empirically based molecular dynamics techniques highlighting some key mechanisms elucidating the suitability of HEAs for use in nuclear applications (including water reactors, advanced coolants and fusion environments). |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume; Planned: Supplemental Proceedings volume |