Computer simulation of precipitation kinetics in metals

The outstanding properties of high-tech metals (corrosion, heat and creep resistance, toughness, strength etc.) are mainly due to their very special microstructure. The size and distribution of grains and subgrains, the amount and morphology of precipitates and their mutual microscopic interactions determine the macroscopic properties of the material. The desired microstructure can be gained by adjusting the production parameters in order to contribute to the interacting physical and chemical processes going on. The computer simulation of the metallurgical mechanisms can help to improve and optimize the mechanical properties of these materials. The modelling of the effects of certain alloying elements on the formation kinetics of different precipitates gives valuable informations on the optimum chemical composition and the best production conditions. The planned research project will focus on the further improvement of the software package ‚MatCalc‘ developed at the University of Technology in Graz. This software tool has successfully been applied to multiple scientific and industrial problems. The features of that program should be extended to the simulation of multiphase precipitation kinetics and multicomponent diffusion.Fields of applications will be the metal producing and processing industry, welding technology and scientific research in materials science and metallurgy.