| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Accelerated Qualification of Nuclear Materials Integrating Experiments, Modeling, and Theories
|
| Presentation Title |
E-16: Stability and Diffusion of Lanthanide Fission Products in HCP Zirconium and BCC Iron Revealed by Density Functional Theory Calculations |
| Author(s) |
Shehab Shousha, Benjamin Beeler, Maria Okuniewski |
| On-Site Speaker (Planned) |
Shehab Shousha |
| Abstract Scope |
Uranium-zirconium (U-Zr) alloys are candidate fuels for fast reactor designs. However, a major limiting factor for the burnup of U-Zr alloys is fuel-cladding chemical interaction (FCCI). The diffusion of lanthanide fission products into the iron-based cladding leads to the formation of intermetallic phases, such as Fe-Nd. One method being explored to mitigate FCCI is the utilization of Zr cladding liners. The goal of this work is to identify the diffusivities of lanthanide species such as Nd, Ce, La, and Pr in Zr and in Fe alloys. Density functional theory is used to calculate the formation, binding, and migration energies of lanthanide defects in HCP Zr and BCC Fe. The atomistic data from this study will inform higher-length scale models for fuel performance simulations. This work also provides a better understanding to the accelerated neutron irradiation experiments on U-Zr fuel rods utilizing the Fission Accelerated Steady-state Test (FAST) integral experiments concept. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Nuclear Materials, Modeling and Simulation |