Atomistic modelling of the local distribution of elements and its influence on elements of the microstructure (C01)

• Subject Area: Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale
• Term: from 2012 to 2023
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 190389738

In the third funding period of the SFB/TR103 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.

• 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 Heads: Professor Dr. Ralf Drautz; Privatdozent Dr. Thomas Hammerschmidt