Atomistic simulations of elementary dislocation processes in coherent and semi-coherent γ/γ’-microstructures: influence of temperature and composition (C03)

• Subject Area: Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale ; Thermodynamics and Kinetics as well as Properties of Phases and Microstructure of Materials
• Term: from 2012 to 2023
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 190389738

The main objectives of project C3 are to provide a better understanding of the interactions between diffusion and dislocation-mediated processes and to study the influence of the local chemical composition on the deformation mechanisms. In addition, the nucleation and propagation of cracks at and in TCP phases will be studied. For this purpose, atomistic simulations, including hybrid MD/MC methods with EAM and BO-potentials will be performed.

• DFG Programme: CRC/Transregios
• Subproject of: TRR 103: From Atoms to Turbine Blades - A Scientific Approach for Developing the Next Generation of Single Crystal Superalloys
• Applicant Institution: Ruhr-Universität Bochum
• Project Head: Professor Dr.-Ing. Erik Bitzek