Alloy Development by Multicriteria Optimization

Advanced industries such as aerospace and medical technology rely on highly specialized metallic materials whose performance is driven by continuous and increasingly complex alloy development. To meet these demands, novel alloy concepts such as high-entropy alloys (HEAs) and advanced nickel-based alloys, often incorporating refractory elements, are becoming increasingly important.
The vast compositional design space and the high experimental effort required render purely empirical alloy development inefficient. In response, the research group pursues a simulation- and optimization-driven approach to systematically design new alloy systems.
To this end, the group develops multicriteria optimization software that combines deterministic and probabilistic models to identify optimal alloy compositions as Pareto fronts within a defined search space. The optimization framework is built upon CALPHAD-based thermodynamic and kinetic models, enabling the prediction of material properties and microstructural features with a strong physical foundation.
A central research focus is the prediction of mechanical properties directly from chemical composition, complemented by considerations of processability, particularly with respect to additive manufacturing. This integrated approach enables the targeted design of alloys tailored to complex geometries and advanced manufacturing technologies.
The developed methods are continuously advanced and experimentally validated within the framework of the Collaborative Research Center TR 103 “From Atoms to Single Crystals.” They contribute to accelerated, knowledge-based alloy development and facilitate the transfer of novel alloy concepts into industrial applications.