Multiscale modeling of Radiation Induced Segregation in iron based alloys
- 1. Univ Lille 1, UMET, CNRS, UMR 8207, Bat C6, F-59655 Villeneuve Dascq, (France)
- 2. Univ Paris Saclay, DEN Serv Rech Met Phys, CEA, F-91191 Gif Sur Yvette, (France)
- 3. Los Alamos Natl Lab, Mat Sci and Technol Div, MST 8, Los Alamos, NM 87545 (United States)
Description
In metallic alloys of fission or fusion reactors, microstructural evolution results from a dynamic equilibrium between thermodynamic forces and the production of defects by irradiation. The migration of defects can lead to the formation of clusters of defects (nano-cavities, dislocation loops, nano-precipitates) or variations in chemical composition close to the defect sinks, a phenomenon known as Radiation Induced Segregation (RIS). To predict the effect of irradiation conditions (type of irradiation particle, dose rate, temperature), phenomenological diffusion models exist that have to be assembled to give an overall description. Our objective is to describe these models and to propose numerical implementations to solve them starting at the atomic scale (DFT energy calculations, Kinetic Monte Carlo, Self-Consistent Mean Field approaches) to reach the mesoscopic one using the phase field modeling. This multi-scale approach is illustrated by a short review of recent studies focusing on dilute and concentrated iron based alloys. (authors)
Availability note (English)
Available from doi: http://dx.doi.org/10.1016/j.commatsci.2018.03.024Additional details
Identifiers
Publishing Information
- Journal Title
- Computational Materials Science
- Journal Volume
- 149
- Journal Page Range
- p. 324-335
- ISSN
- 0927-0256
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- France
- INIS RN
- 52084427
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- CHEMICAL COMPOSITION; CHEMICAL RADIATION EFFECTS; CHEMICAL REACTION KINETICS; DENSITY FUNCTIONAL METHOD; DIFFUSION; FERRITIC STEELS; MARTENSITIC STEELS; MICROSTRUCTURE; MONTE CARLO METHOD; PHYSICAL RADIATION EFFECTS; POINT DEFECTS
- Descriptors DEC
- ALLOYS; CALCULATION METHODS; CARBON ADDITIONS; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; IRON ALLOYS; IRON BASE ALLOYS; KINETICS; RADIATION EFFECTS; REACTION KINETICS; STEELS; TRANSITION ELEMENT ALLOYS; VARIATIONAL METHODS