Helium-induced damage in U₃Si₅ by first-principles studies.

ABSTRACT: Uranium silicide U₃Si₅ has been explored as an advanced nuclear fuel component for light water reactor to enhance the accident tolerance. In this paper, in order to understand the fuel performance of U₃Si₅, the primary point defects, secondary point defects, and the dissolution of He gas were studied by first-principles methods. Compared with U atoms and another type of Si₂ atoms, Si₁ atoms far from intrinsic Si vacancies are more likely to form point defects, implying that Si vacancies are prone to form separate single vacancies rather than vacancy clusters in the initial stage. From the calculated anti-site defect energies, it can be predicted that non-stoichiometric U-rich phase of U₃Si₅ are more lik

SUBMITTER: Wang Y 

PROVIDER: S-EPMC9037741 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature