Self-Point Defect Trapping Responsible For Radiation Swelling Reduction In V-Ti Alloys
SOLID STATE COMMUNICATIONS(2021)
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.
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Key words
Molecular dynamics, Diffusion, Vanadium-titanium, Defect complexes
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