Modeling radiation induced segregation in iron–chromium alloys
| Autor: | Chu-Chun Fu, Enrique Martínez, Oriane Senninger, Yves Bréchet, Maylise Nastar, Frédéric Soisson |
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| Přispěvatelé: | Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Los Alamos National Laboratory (LANL), Science et Ingénierie des Matériaux et Procédés (SIMaP ), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]) |
| Jazyk: | angličtina |
| Rok vydání: | 2016 |
| Předmět: |
010302 applied physics
Materials science Polymers and Plastics Precipitation (chemistry) Chromium Alloys Radiochemistry Metals and Alloys Thermodynamics 02 engineering and technology [CHIM.MATE]Chemical Sciences/Material chemistry Radiation 021001 nanoscience & nanotechnology 01 natural sciences Electronic Optical and Magnetic Materials Chemical species Vacancy defect 0103 physical sciences Ceramics and Composites Grain boundary Kinetic Monte Carlo Diffusion (business) 0210 nano-technology |
| Zdroj: | Acta Materialia Acta Materialia, Elsevier, 2016, 103, pp.1-11. ⟨10.1016/j.actamat.2015.09.058⟩ Acta Materialia, 2016, 103, pp.1-11. ⟨10.1016/j.actamat.2015.09.058⟩ |
| ISSN: | 1359-6454 |
| DOI: | 10.1016/j.actamat.2015.09.058⟩ |
| Popis: | International audience; 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. |
| Databáze: | OpenAIRE |
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