Self-point defect trapping responsible for radiation swelling reduction in V–Ti alloys. (April 2021)

• Record Type: Journal Article
• Authors: Boev, A.O.; Nelasov, I.V.; Lipnitskii, A.G.; Kartamyshev, A.I.; Aksyonov, D.A.
• Is Part Of: Solid state communications. Volume 329(2021)
• Publication Date: 2021-04
• Subjects: Molecular dynamics -- Diffusion -- Vanadium-titanium -- Defect complexes; Solid state chemistry -- Periodicals; Solid state physics -- Periodicals; Chimie de l'état solide -- Périodiques; Physique de l'état solide -- Périodiques; 530.41
• DOI: 10.1016/j.ssc.2021.114252
• Languages: English
• ISSNs: 0038-1098

Abstract

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.