Prof. Dr. Ralf Drautz
Ralf Drautz is the head of the department of Atomistic Modelling and Simulation at ICAMS, Ruhr-Universität Bochum. Within the department a systematic coarse-graining from the electronic structure to inter-atomic interactions is performed to extend length and time scales in atomistic simulations. A particular focus is on achieving a fundamental understanding of the influence of electronic and atomistic characteristics of a materials on its properties.
- electronic structure calculations of the stability and structure of relevant Ti-Ta phases
- minimum energy path of phase transformations in Ti-Ta shape memory alloys
- dynamical investigation on the atomistic level of transformation kinetics and mechanisms