Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe
| Autor: | N. Anento, C.J. Ortiz, Anna Serra, Charlotte Becquart, Christophe Domain, C. Guerrero, J.P. Balbuena, Nicolas Castin, Maria J. Caturla, B. Pannier, Lorenzo Malerba |
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| Přispěvatelé: | Universidad de Alicante. Departamento de Física Aplicada, Grupo de Nanofísica, Física de la Materia Condensada, Universitat Politècnica de Catalunya. Departament d'Enginyeria Civil i Ambiental, Centro de Investigaciones Energéticas Medioambientales y Tecnológicas [Madrid] (CIEMAT), Universidad de Alicante, Unité Matériaux et Transformations - UMR 8207 (UMET), Institut de Chimie du CNRS (INC)-Institut National de la Recherche Agronomique (INRA)-Centre National de la Recherche Scientifique (CNRS)-Université de Lille-Ecole Nationale Supérieure de Chimie de Lille (ENSCL), Etude et Modélisation des Mécanismes de Vieillissement des Matériaux (EM2VM), Centrale Lille Institut (CLIL)-EDF R&D (EDF R&D), EDF (EDF)-EDF (EDF)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS), Centre d'Etude de l'Energie Nucléaire (SCK-CEN), Matériaux et Mécanique des Composants (EDF R&D MMC), EDF R&D (EDF R&D), EDF (EDF)-EDF (EDF), Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Centrale Lille-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-EDF R&D (EDF R&D), Université de Lille, CNRS, INRA, ENSCL, Centro de Investigaciones Energéticas Medioambientales y Tecnológicas [Madrid] [CIEMAT], Unité Matériaux et Transformations (UMET) - UMR 8207, Centre d'Etude de l'Energie Nucléaire [SCK-CEN], Unité Matériaux et Transformations - UMR 8207 [UMET] |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Nuclear and High Energy Physics
Work (thermodynamics) Materials science Ferro -- Metal·lúrgia Materials Science (miscellaneous) Iron Overview Iron--Metallography 02 engineering and technology 01 natural sciences Stability (probability) Set (abstract data type) Coincident Física Aplicada 0103 physical sciences Kinetic Monte Carlo Irradiation Statistical physics 010306 general physics Microstructure evolution Defect properties TK9001-9401 [CHIM.MATE]Chemical Sciences/Material chemistry 021001 nanoscience & nanotechnology Microstructure Enginyeria dels materials::Metal·lúrgia [Àrees temàtiques de la UPC] Nuclear Energy and Engineering [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] Nuclear engineering. Atomic power 0210 nano-technology |
| Zdroj: | RUA. Repositorio Institucional de la Universidad de Alicante Universidad de Alicante (UA) Nuclear Materials and Energy Nuclear Materials and Energy, Elsevier, 2021, Nuclear Materials and Energy, pp.101069. ⟨10.1016/j.nme.2021.101069⟩ Nuclear Materials and Energy, 2021, Nuclear Materials and Energy, 29, pp.101069. ⟨10.1016/j.nme.2021.101069⟩ Nuclear Materials and Energy, Vol 29, Iss, Pp 101069-(2021) UPCommons. Portal del coneixement obert de la UPC Universitat Politècnica de Catalunya (UPC) |
| ISSN: | 2352-1791 |
| DOI: | 10.1016/j.nme.2021.101069⟩ |
| Popis: | This paper is the first of three that overview the main mechanisms that drive the microstructure evolution in Fe alloys under irradiation. It focuses on pure a-Fe and compiles the parameters that describe quantitatively the mobility and stability of point-defects and especially their clusters, including possible reactions and criteria to decide when they should react. These parameters are the result of several years of calculations and application in microstructure evolution models. They are mainly collected from the literature and the parameter choice tries to reconcile different sets of values that, while being in general qualitatively similar, are often quantitatively not coincident. A few calculation results are presented here for the first time to support specific approximations concerning defect properties or features. Since calculations cannot cover all possible defect configurations, the definition of these parameters often requires educated guesses to fill knowledge gaps. These guesses are here listed and discussed whenever relevant. This is therefore a “hands-on” paper that: (i) collects in a single report most microstructure evolution parameters that are found in the literature for irradiated a-Fe, including a discussion of the most important mechanisms at play based on current knowledge; (ii) selects a ready-to-use set that can be employed in microstructure evolution models, such as those based on object kinetic Monte Carlo (OKMC) methods. This work also identifies parameters that are needed, but not known, hopefully prompting corresponding calculations in the future. This work has received funding from the Euratom research and training programme 2014-2018 under grant agreement No. 755039 (M4F project). This research also contributes to the Joint Programme on Nuclear Materials of the European Energy Research Alliance (EERA-JPNM). |
| Databáze: | OpenAIRE |
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