[Back]

E. Kozeschnik:
"Predictive simulation of multi-component precipitation - Where are we, and where are we going?";
Talk: "OMD 2014". The fundamental problems. Innovative Materials and Technologies, Moskau (invited); 2014-04-14 - 2014-04-17.

In the past 17 years, a comprehensive simulation framework has been set up in our group, aiming at the prediction of precipitation reactions in complex multi-component, multi-phase systems. In this time, several new theoretical models and concepts have been (and had to be) developed and realized into the software MatCalc (http://matcalc.at). The present implementation is based on a discrete size-class model involving classical nucleation theory and mean-field evolution equations derived from the thermodynamic extremum principle. A major ingredient of our approach is the automatic evaluation of the precipitate / matrix interfacial energy, which is derived from thermodynamic databases and which takes into account the effects of interface curvature of small precipitates as well as the effect of finite interface thickness.

In this presentation, an overview is given on the fundamental models used in our approach. Some application examples are presented and discussed. Ultimately, an outlook is given as to where the journey is going and which concepts we follow to finally arrive at the vision of a complete "through-process" model of microstructure evolution in complex metallic materials.