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E. Kozeschnik:
"Thermo-kinetics based materials modeling with MatCalc - Functionality and integration";
Talk: 1st International Workshop on Software Solutions for ICME, Rolduc (invited); 2014-06-24 - 2014-06-27.

The software MatCalc ("Materials Calculator") [1] combines CALPHAD multi-component thermodynamics with various thermo-kinetic modeling approaches to describe the evolution of a poly-crystalline microstructure in the course of arbitrary thermo-mechanical treatments based on characteristic state-parameters. In the case of precipitation modeling, these are the radius and composition of the precipitates, in the case of microstructure evolution modeling, these parameters are, among others, dislocation densities as well as mean grain and subgrain sizes or, alternatively, entire grain size distributions. From the evolving state parameters of the system, various material properties are derived, such as the macroscopic yield strength contributions from precipitates, solid solution atoms, grains and subgrains as well as the dislocation substructure.
In this presentation, the concepts behind MatCalc are outlined and the functionality of the software is briefly introduced. The program structure is presented and, finally, the API and the export/import and coupling potential with third-party software are discussed.