A method for handling the extrapolation of solid crystalline phases to temperatures far above their melting point.

Thermodynamic descriptions in databases for applications in computational thermodynamics require representation of the Gibbs energy of stable as well as metastable phases of the pure elements as a basis to model multi-component systems. In the Calphad methodology these representations are usually based on physical models. Reasonable behavior of the thermodynamic properties of phases extrapolated far outside their stable ranges is necessary in order to avoid that they become stable just because these properties extrapolate badly.

Multicomponent and multiphase modeling and simulation of reactive wetting.

A multicomponent and multiphase model with fluid motion is developed. The model is used to study reactive wetting in the case where concentration change of the spreading liquid and the substrate occurs. With the introduction of a Gibbs energy functional, the governing equations are derived, consisting of convective concentration and phase-field equations which are coupled to the Navier-Stokes equations with surface tension forces.