About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Hydrogen Accommodation, Hydride Decomposition, and Hydride Phase Stability in the TiZrNbHfTa High Entropy Alloy |
Author(s) |
Christopher Moore, Jack A. Wilson, Jack Astbury, Caitlin A. Taylor, Michael J. D. Rushton, Simon C. Middleburgh |
On-Site Speaker (Planned) |
Christopher Moore |
Abstract Scope |
Effective hydrogen storage systems have been of significant interest to the green energy sector in terms of transportation, long-term storage, and energy production for many years. Poor H/M ratios, unfavourable desorption characteristics and degradation of the hydrogen storage materials during cycling are some of the issues that have hindered development of effective compounds. The high entropy alloy TiZrNbHfTa can satiate many of these critical criteria due to its ability to form a stable dihydride and to fully desorb stored hydrogen without degradation of the material. Hydrogen accommodation in the TiZrNbHfTa high entropy alloy has been explored across a range of H/M ratios and the hydride decomposition temperature range has been predicted using density functional theory. A sieverts style apparatus has been constructed to perform hydrogenation reactions on the alloy, this will allow an investigation into the presence of hydrogen promoting the formation of vacancies, in accordance with previous computational models. |
Proceedings Inclusion? |
Planned: |
Keywords |
High-Entropy Alloys, Modeling and Simulation, Phase Transformations |