Self-point defect trapping responsible for radiation swelling reduction in V–Ti alloys

A. O. Boev, I. V. Nelasov, A. G. Lipnitskii, A. I. Kartamyshev, D. A. Aksyonov

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1 Citation (Scopus)

Abstract

The very low swelling of V–Ti alloys under neutron irradiation is a poorly understood phenomenon. To uncover the underlying mechanism of swelling reduction, we performed density functional theory and molecular dynamics simulations with a V-4% Ti random alloy with interatomic potentials. We find that titanium solutes efficiently trap vacancies and self-interstitial atoms. Exceed vacancies conserve their individuality, forming a variety of complexes with Ti solutes compared to their association into a dislocation loop in pure V. Randomly distributed Ti-vacancy complexes are much more appropriate for efficient point defect recombination as opposed to the localized dislocation loop formed in pure V.

Original languageEnglish
Article number114252
JournalSolid State Communications
Volume329
DOIs
Publication statusPublished - Apr 2021

Keywords

  • Defect complexes
  • Diffusion
  • Molecular dynamics
  • Vanadium-titanium

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