First-principles Studies of Tritium Species Formation on and Desorption from Surfaces of $γ- LiAlO_2$ Pellets with Related Secondary Phase
The $γ- LiAlO_2$ ceramics enriched with the $^6Li$ isotope are used in the form of annular pellets in tritium-producing burnable absorber rods (TPBARs). When irradiated in a pressurized water reactor (PWR), the $^6Li$ absorbs neutrons, simulating the nuclear characteristics of a burnable absorber rod, and produces tritium $(_{1}^{3}H, T)$. Once the $_{1}^{3}H$ is produced in the bulk of $γ- LiAlO_2$, it diffuses to its surface, forming different $_{1}^{3}H$ species (possibly $T, OT, T_2, or T_2O$). The $T_2O$ is expected to be generated from experiment, to avoid $_{1}^{3}H$ leakage. However, up to now, it is still not clear which $_{1}^{3}H$ species are formed on the $γ- LiAlO_2$ surface and travel to the getter. Besides, with the dramatic Li loss under irradiation, the secondary phase (possibly $LiAl_5O_8$) precipitates and participates into the $_{1}^{3}H$ diffusivity and $_{1}^{3}H$ species formation. Therefore, exploring $_{1}^{3}H$ species formation on and desorption from surfaces of $γ- LiAlO_2$ with related secondary phases becomes a very important task to provide a better understanding of $_{1}^{3}H$H species escaping from pellets.