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E. Kozeschnik:
"Thermo-kinetic modeling of multi-component multi-phase multi-particle precipitation";
Keynote Lecture: International Conference on Physical and Numerical Simulation of Materials Processing, Guilin, China (invited); 2010-11-15 - 2010-11-19.

Thermo-kinetic modeling of multi-component multi-phase multi-particle precipitation

E. Kozeschnik1,2, B. Sonderegger1,3, J. Svoboda4, F.D. Fischer5
1 Materials Center Leoben Forschung GmbH, Leoben, Austria
2 Christian Doppler Laboratory "Early Stages of Precipitation", Institute of Materials Science and Technology, Vienna University of Technology, Austria.
3 Institute for Materials Science and Welding, Graz University of Technology, Austria.
4 Institute of Physics, Academy of Sciences of the Czech Republic, Brno, Czech Republic.
5 Institute of Mechanics, Montanuniversität Leoben, Austria.

Modeling of precipitation in multi-component metallic materials is challenged by numerous problems arising from the presence of more than two elements that contribute to the precipitation process. One of these are numerical issues related to the stability and efficiency of the particular theoretical framework. In this aspect, we review a recent model for multi-component multi-phase multi-particle precipitation based on the thermodynamic extremal principle and the numerical Kampmann-Wagner model. Second, we present a methodology for treatment of multi-component nucleation. The models we review and introduce comprise of an extended version of classical nucleation theory, as well as a treatment of interfacial energies using the generalized broken bond concept, allowing us to obtain reasonable estimates for interfacial energies from any system where suitable thermodynamic data are available. Finally, the concept is demonstrated on selected problems of heat treatment of complex technological materials.

precipitation modeling