Damage accumulation in pure iron and high concentrated Fe–12.5 at% Cr alloy: comparison between object kinetic Monte Carlo and cluster dynamics

Abstract

A comparison between object kinetic Monte Carlo (OKMC) and cluster dynamics (CD) simulations of damage accumulation has been made in the domain of low (77–150 K) temperatures for electron-irradiated and then annealed pure iron as well as at 573 K temperature for neutron-irradiated high concentrated Fe–12.5 at% Cr alloy. Findings indicate that an increase in the size of the simulation box up to 300 nm×300 nm×300 nm in OKMC simulation and direct integration of master equation of CD provide the quantitative agreement results of these methods among themselves as well as with the experimental data of microstructure evolution of Fe–12.5 at% Cr alloy and qualitative agreement for the case of pure iron electron irradiated at 77 K and then annealed at temperatures between 77 and 150 K.

Keywords:

• irradiation
• pure iron
• Fe–Cr alloy
• cluster dynamics
• object kinetic Monte Carlo

Acknowledgements

This work was supported by the European Commission in the 7th Framework Program Projects GETMAT and PERFORM-60.