Modeling radiation induced segregation in iron–chromium alloys - Archive ouverte HAL
Article Dans Une Revue Acta Materialia Année : 2016

Modeling radiation induced segregation in iron–chromium alloys

Résumé

Radiation induced segregation in ferritic Fe-Cr alloys is studied by Atomistic Kinetic Monte Carlo simulations that include diffusion of chemical species by vacancy and interstitial migration, recombination, and elimination at sinks. The parameters of the diffusion model are fitted to DFT calculations. Transport coefficients that control the coupling between diffusion of defects and chemical species are measured in dilute and concentrated alloys. Radiation induced segregation near grain boundaries is directly simulated with this model. We find that the diffusion of vacancies toward sinks leads to a Cr depletion. Meanwhile, the diffusion of self-interstitials causes an enrichment of Cr in the vicinity of sinks. For concentrations lower than 15%Cr, we predict that sinks will be enriched with Cr for temperatures lower than a threshold. When the temperature is above this threshold value, the sinks will be depleted in Cr. These results are compared to previous experimental studies and models. Cases of radiation induced precipitation and radiation accelerated precipitation are considered. (c) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Domaines

Matériaux
Fichier principal
Vignette du fichier
294be06dc94fbe26037543df92b8e71e.pdf (34.36 Mo) Télécharger le fichier
Origine Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-01381879 , version 1 (23-01-2024)

Identifiants

Citer

Oriane Senninger, Frédéric Soisson, Enrique Martínez, Maylise Nastar, Chu-Chun Fu, et al.. Modeling radiation induced segregation in iron–chromium alloys. Acta Materialia, 2016, 103, pp.1 - 11. ⟨10.1016/j.actamat.2015.09.058⟩. ⟨hal-01381879⟩
168 Consultations
3 Téléchargements

Altmetric

Partager

More