https://doi.org/10.1051/epjconf/202430206004
HPC atomic simulations of defect formation and kinetic Monte Carlo simulation of material ageing
1 EDF R&D, Département MMC Matériaux et Mécanique des Composants, 77250 Moret sur Loing, France
2 Univ. Lille, CNRS, INRAE, Centrale Lille, UMR 8207 - UMET - Unité Matériaux et Transformations, F-59000 Lille, France
3 Laboratoire commun EDF-CNRS Etude et Modélisation des Microstructures pour le Vieillissement des Matériaux (EM2VM), France
* Corresponding author: christophe.domain@edf.fr
Published online: 15 October 2024
Kinetic Monte Carlo (KMC) simulations are developed to simulate microstructure evolution under irradiation of structural materials of nuclear power plants. Methods based on rigid lattice atomic KMC and object KMC, despite some approximations, present the advantage to reach significant time, hence irradiation doses. The physical inputs such as the primary damage and defect cluster properties are the results of intensive atomic simulation on high performance computers. Here, atomic KMC is applied to model microstructure evolution of reactor pressure vessel steels and object KMC is applied to zirconium cladding materials.
© The Authors, published by EDP Sciences, 2024
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