Projects SFB/Transregio 103
C1 Atomistic modelling of TCP phases and extended defects in Ni- and Co-base superalloys with bond-order potentials
The goal of project C1 is a comprehensive understanding of the interplay of the local geometric arrangement and the local chemical configuration of the interatomic bonds in single-crystal Ni-base and Co-base superalloys. Therefore, topologically close-packed (TCP) phases, dislocations and planar defects in chemical configurations with up to four alloying elements are investigated by atomistic simulations with analytic bond-order potentials (BOPs). In addition, empirical structure maps are employed to estimate the stability of TCP phases in multi-component systems.