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Solute-point defect interactions, coupled diffusion, and radiation-induced segregation in fcc nickel

Abstract : Radiation-induced segregation (RIS) of solutes in materials exposed to irradiation is a well-known problem. It affects the lifetime of nuclear reactor core components by favoring radiation-induced degradation phenomena such as hardening and embrittlement. In this work, RIS tendencies in face centered cubic (fcc) Ni-X (X = Cr, Fe, Ti, Mn, Si, P) dilute binary alloys are examined. The goal is to investigate the driving forces and kinetic mechanisms behind the experimentally observed segregation. By means of ab initio calculations, point-defect stabilities and interactions with solutes are determined, together with migration energies and attempt frequencies. Transport and diffusion coefficients are then calculated in a mean-field framework, to get a full picture of solutedefect kinetic coupling in the alloys. Results show that all solutes considered, with the exception of Cr, prefer vacancy-mediated over interstitial-mediated diffusion during both thermal and radiation-induced migration. Cr, on the other hand, preferentially migrates in a mixed-dumbbell configuration. P and Si are here shown to be enriched, and Fe and Mn to be depleted at sinks during irradiation of the material. Ti and Cr, on the other hand, display a crossover between enrichment at lower temperatures, and depletion in the higher temperature range. Results in this work are compared with previous studies in body centered cubic (bcc) Fe, and discussed in the context of RIS in austenitic alloys.
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https://hal.univ-lille.fr/hal-03117489
Contributeur : Lilloa Université de Lille <>
Soumis le : jeudi 21 janvier 2021 - 11:26:22
Dernière modification le : jeudi 28 janvier 2021 - 03:21:37
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E. Toijer, L. Messina, Christophe Domain, J. Vidal, Charlotte Becquart, et al.. Solute-point defect interactions, coupled diffusion, and radiation-induced segregation in fcc nickel. Physical Review Materials, 2021, Physical Review Materials, 5 (1), ⟨10.1103/physrevmaterials.5.013602⟩. ⟨hal-03117489⟩

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