Multiscale modeling of atomic transport phenomena in ferritic steels

by Mr Luca Messina (KTH Royal Institute of Technology)

Friday 11 Dec 2015, 13:00 → 16:00 Europe/Stockholm

FD5

This thesis investigates the atomistic phenomena involved in the radiation damage of ferritic alloys, used e.g. for reactor pressure vessels in nuclear power plants. In particular, it focuses on the mechanisms leading to the formation of hardening and embrittling nanoparticles, which is linked with the defect-enhanced diffusion of impurities. The impurity-transport mechanisms are investigated in depth by a range of modeling techniques, which include ab initio electronic-structure calculations, mean-field models, and kinetic Monte Carlo simulations. The microstructure evolution of reactor pressure vessel steels of a Swedish power plant is also simulated by means of kinetic Monte Carlo methods.