We present some recent applications of Monte Carlo simulations to the study of Radiation Induced Segregation (RIS) and Precipitation (RIS) kinetics in metallic alloys. These phenomena are experimentally well known and can have an important impact on nuclear industry. At the atomic scale, they result from the permanent fluxes of point defects sustained by irradiation towards sinks such as grain boundaries, dislocations, etc. The coupling with fluxes of solute atoms can lead to local segregation and precipitation processes.

RIS and RIP behaviours can be predicted by Kinetic Monte Carlo simulations based on an atomic model of diffusion under irradiation which takes into account the creation and migration of vacancies and interstitials, their mutual recombination and their annihilation at sinks. In model binary alloys, KMC simulations have been used to show how the kinetic pathway and the microstructural evolution are controlled by the details of diffusion properties, i.e. by the various migration barriers and the way they depend on the local atomic configurations. We especially focus on the case of dilute iron-copper alloys. In this system, the KMC parameters (effective interactions and migration barriers) have been computed by ab initio calculations, in the framework of the Density Functional Theory.

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