Prof. Dr. rer. nat. Dronskowski (Department of Inorganic Chemistry, RWTH Aachen)
This sub-project will develop spin-conditioned structure models for the different phases, which occur in Mn-rich steels. This contains already known crystalline atomic sub-structures as well as the lattice defects typically occurring in steel. The structure models will be optimized concerning all parameters and afterwards binding-theoretically interpreted. By means of the permanent exchange of results among the different sub-projects, macroscopic measured variables will be chemically interpreted in order to systematically develop the models.
In the long-term, a complete chemical understanding of the chemical-physical properties as function of the electron structure and the chemical binding is strived for under the approximation of the absolute temperature zero-point in sub-project A1. Therefore semi-quantitative predictions concerning unknown systems should be finally possible without detailed calculations of the electron structure.