C1 Atomistic modelling of TCP phases and extended defects in Ni- and Co-base superalloys with bond-order potentials

T. Hammerschmidt, R. Drautz
thomas.hammerschmidt@rub.de
ralf.drautz@rub.de

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. In the third funding period, project C1 investigates the influence of alloying elements on phase stability, dislocations, planar faults and internal interfaces. Structure maps and large-scale atomistic simulations with bond-order potentials are employed to derive γ/γ’ alloying windows and to analyse the influence of alloying elements on deformation mechanisms.





Publications C1