Tritium Accommodation and Diffusion in Li₈PbO₆ from First-Principles Simulations.

ABSTRACT: Li₈PbO₆ has been proposed as an alternative candidate breeding blanket material for use in fusion reactors. As lithium is burned inside the blanket, tritium is produced within the ceramic matrix until it reaches the surface, from where it is recovered by isotope exchange reactions. To fully understand the tritium recovery process, it is essential to understand how tritium is accommodated in the fuel and subsequently migrates to the surface. Therefore, in this work, we employ density functional theory (DFT) to examine tritium accommodation in Li₈PbO₆. We then used the nudged elastic band (NEB) method to understand the mechanisms for the migration of tritium-accommodating defects in Li₈PbO₆. We have found tritium is more likel

SUBMITTER: Davies AW 

PROVIDER: S-EPMC11789132 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature