Scale-Bridging Thermodynamic and Kinetic Simulation (STKS)
Upgrading CALPHAD to microstructure simulation: the phase-field method
S. G. Fries, B. Boettger, J. Eiken, I. Steinbach.
International Journal of Materials Research, 100, 128-134, (2009)
By amending the time and space evolution of interfaces to the CALPHAD Gibbsian phase descriptions, the phase-field method now makes realistic microstructure simulations possible. This combination allows incorporating more than one century of accumulated experimental information, consistently synthesized in the thermodynamic and kinetic CALPHAD databases, into multicomponent, multiphase, 3-dimensional microstructure evolution simulations. It represents a large step in materials design and a call for creative contributions from a growing interdisciplinary community. The approach is illustrated by steel and magnesium alloy microstructure simulations.
Keyword(s): CALPHAD; Microstructure simulation; phase-field method