Towards understanding the mechanism of titanium suppressing vacancy clustering/void nucleation in vanadium alloy

Journal of Nuclear Materials(2024)

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摘要
•We investigated the interaction between titanium (Tim) and vacancyn (Vacn) with m, n = 1–5 to illustrate the stabilizing effect of Ti on Vacn clusters.•The migration process of vacancy/its clusters in presence of Ti was determined by the CI-NEB calculations.•Ti additions provide more nucleation sites of vacancies, forming more small-size complexes.•Ti has a pinning effect on vacancy clusters and suppresses vacancy clustering/void nucleation.
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关键词
Vanadium alloys,Ti-vacancy,Radiation swelling,First-principles
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