Projects SFB/Transregio 103
C2 Ab initio simulation of diffusion and segregation of alloying elements in the γ/γ’-microstructure of superalloys
The central objective of project C2 is a fundamental understanding of atomistic diffusion processes in Ni-base superalloys using electronic structure methods. The project focuses on a consistent description of diffusion at high concentrations, in multi-component systems and in strain fields. This requires more complex atomistic models and correspondingly new methodological developments. Within these more extended theoretical approaches it is then also possible to investigate the diffusion behavior of alloying elements in the presence of the γ/γ’-microstructure.