B07

The overall goal of this project is to use computer simulations for predicting the interplay of nanophase formation, resulting microstructure and magnetocaloric properties of Fe-based rare-earth free materials. We initially explore the influence of laser powder bed fusion (LPBF)-process parameters on the early stage of nanophase formation with a focus on binary Fe-X alloys as model systems. For various nanoarchitectures, we study the heat transport by non-equilibrium molecular dynamics (MD)-simulations and investigate the role of interface phenomena in order to predict optimal microstructures. Further, we plan to develop effective Hamiltonians, which allow to directly predict the magnetocaloric response.