Titanium Aluminides: from atoms to structures
Titanium Aluminides (short: TiAl) are intermetallic alloys consisting of the main metal elements Titanium and Aluminium. These alloys feature an extraordinarily high strength-to-weight ratio and heat resistance, which makes them ideal for use in engines and gas turbines, where they may replace heavier Nickel based superalloys.
The material properties of TiAl mainly depend on its microstructure, which can be tailored by the processing route and parameters. We develop computer simulations that can help to optimize the microstructure with respect to its mechanical performance at high temperatures in order to save expensive and time-consuming experiments. Our computer simulations couple computational models on different length scales: molecular dynamics simulations on the atomistic scale meso-scale finite element simulations of crystal plasticity, and eventually finite element simulations of macroscopic components with homogenized material models. By this virtual material design – coupling of computer simulations on several scales to reduce the need of experiments – the development of improved TiAl alloys can be accelerated. Such new alloys will help to save weight und thus fuel consumption in aerospace components.
