| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Seaborg Institutes: Emerging Topics in Actinide Materials and Science
|
| Presentation Title |
Exploring the Behavior of Hydrogen Defects in δ-Pu through Density Functional Theory |
| Author(s) |
Charles Fricke, Sarah Hernandez |
| On-Site Speaker (Planned) |
Charles Fricke |
| Abstract Scope |
The corrosion of plutonium to form its hydride creates significant challenges in handling, researching, and storing of the metal. Plutonium hydrides rapidly, much faster than most metals, and the kinetics are less well understood. Significant questions remain, including the energetics of hydrogen incorporation within the lattice, such as the tetrahedral, octahedral, and vacancy sites, as well as its reactive behavior on and in the surface of metallic plutonium. As such, this work aims to explore how hydrogen behaves within the face-centered-cubic δ-plutonium phase from the surfaces of δ-Pu(111) and δ-Pu(100) into their subsurface and bulk through density functional theory. In addition, investigation of the hydrogen-vacancy defect interaction within bulk δ-plutonium and the most thermodynamically favorable site of hydrogen within the material will be discussed. Finally, this work also applies kinetic modeling principles to understand hydrogen diffusion through bulk δ-Pu. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Computational Materials Science & Engineering, |