PNNL

Abstract

This study investigates the impact of Mg and Ni doping on tritium diffusion in LiAlO2 and LiAl5O8 ceramics, which are ceramics used in tritium-producing burnable absorber rods (TPBARs). Utilizing Centipede simulations across a broad temperature range (600 K to 1250 K), we explore the interplay between defect dynamics, cluster formation, and tritium mobility. In LiAlO2, Mg doping significantly enhances tritium diffusivity by increasing tritium interstitial concentrations and diffusion coefficients of key species, thereby doubling the overall tritium diffusivity. Ni doping, while shifting the dominant defect to Li vacancies, maintains high tritium mobility due to the low binding energy of Li vacancy-tritium complexes, which ensures effective tritium migration. In LiAl5O8, Mg doping results in a slight reduction in the diffusion coefficients of key species, yet the dramatic increase in tritium interstitial concentrations compensates, leading to a net small increase in tritium diffusivity. The findings highlight the critical role of defect engineering in optimizing tritium transport and highlight the potential of Mg and Ni doping to enhance the performance of these ceramics in demanding nuclear environments.