Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model

This work presents a revised set of parameters to be used in an Object kinetic Monte Carlo model to simulate the microstructure evolution under neutron irradiation of reactor pressure vessel steels at the operational temperature of light water reactors (similar to 300 degrees C). Within a grey-alloy approach, a more physical description than in a previous work is used to translate the effect of Mn and Ni solute atoms on the defect cluster diffusivity reduction. The slowing down of self-interstitial clusters, due to the interaction between solutes and crowdions in Fe is now parameterized using binding energies from the latest DFT calculations and the solute concentration in the matrix from atom-probe experiments. The mobility of vacancy clusters in the presence of Mn and Ni solute atoms was also modified on the basis of recent DFT results, thereby removing some previous approximations. The same set of parameters was seen to predict the correct microstructure evolution for two different types of alloys, under very different irradiation conditions: an Fe-C-MnNi model alloy, neutron irradiated at a relatively high flux, and a high-Mn, high-Ni RPV steel from the Swedish Ringhals reactor surveillance program. In both cases, the predicted self-interstitial loop density matches the experimental solute cluster density, further corroborating the surmise that the MnNi-rich nanofeatures form by solute enrichment of immobilized small interstitial loops, which are invisible to the electron microscope. (C) 2016 Elsevier B.V. All rights reserved.