| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Accelerated Qualification of Nuclear Materials Integrating Experiments, Modeling, and Theories
|
| Presentation Title |
E-20: Tritium Population Near Dislocations in Zirconium from Molecular Dynamics |
| Author(s) |
Michael E. Foster, Xiaowang Zhou |
| On-Site Speaker (Planned) |
Xiaowang Zhou |
| Abstract Scope |
Tritium storage performance of zirconium tritides is vital for many nuclear applications, but can significantly change due to irradiated dislocations. Experimental characterization of this change is challenging. Molecular dynamics simulations have been employed to investigate tritium population in zirconium containing different types of edge dislocations. We found that tritium concentration is highest near the tensile regions of dislocation cores and varies with dislocation type. This increase in tritium concentration can be explained by Boltzmann calculations using swelling volume and pressure field, with reduced computational cost. Strikingly, because tritium in the compressive regions of dislocations is depleted and the depletion can exceed the enrichment, the overall tritium content is found to decrease by dislocation formation. These results provide an understanding of changes in tritium solubility under reactor conditions, and offer valuable insights for optimizing zirconium tritides in nuclear applications. SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Energy Conversion and Storage, Modeling and Simulation |