© Max-Planck-Institut für Eisenforschung GmbH

Research Projects

Atomistic computer simulations of the mobility of grain boundaries

In this project, we employ atomistic computer simulations to study grain boundaries. Primarily, molecular dynamics simulations are used to explore their energetics and mobility in Cu- and Al-based systems in close collaboration with experimental works in the GB-CORRELATE project.

Modelling of grain boundary phases in fcc metals and their properties

microstructure and properties

Grain boundaries (GBs) affect many macroscopic properties of materials. In the case of metals grain growth, Hall–Petch hardening, diffusion, and electrical conductivity, for example, are influenced or caused by GBs. The goal of this project is to investigate the different GB phases (also called complexions) that can occur in tilt boundaries of fcc metals. We aim to investigate possible atomic structures and their thermodynamic description and connect them to mechanical properties.