Ab initio thermodynamics und kinetics in the Fe-Mn-Al-C system (A02)

• Subject Area: Nuclear and Elementary Particle Physics, Quantum Mechanics, Relativity, Fields
• Term: from 2007 to 2019
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 29898171

Using ab initio concepts, project A2 is identifying and analyzing the mechanisms that are relevant for temperature dependencies in Mn-rich steels. The required methods for an accurate determination of thermodynamic key parameters such as free energies and stacking fault energies have been developed. They will be used within the third phase to obtain an ab initio understanding of the thermodynamics and kinetics of interface-dominated processes. Furthermore, the impact of the chemical composition on the structure and energetics of dislocations will be investigated.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 761: Steel - Ab Initio. Quantum Mechanics Guided Design of New Fe-based Materials
• Applicant Institution: Rheinisch-Westfälische Technische Hochschule Aachen
• Co-Applicant Institution: Max-Planck-Institut für Nachhaltige Materialien GmbH (MPI SusMat)
• Project Heads: Dr. Tilmann Hickel, since 7/2015; Professor Dr. Jörg Neugebauer, until 6/2015