MATLS 713 / Computational Thermodynamics

3 unit(s)

D.V. Malakhov

Scientific heritage of J.W. Gibbs.Lattice stabilities.Reference states. Thermodynamic models of phases including sublattice model, quasi-chemical model, associated solutions, partially ionic liquids, etc. and their application to metallic systems, oxides, salts and aqueous solutions. Usage of structural information for choosing a proper phase model.Calculation of equilibrium in gaseous systems.Magnetic contribution to the Gibbs energy.Order-disorder transformations and their modeling. Thermodynamic principles hidden behind phase diagrams.Driving forces for the onset of precipitation. Isonucleation diagrams. Thermo-Calc and TQ interface. Simultaneous treatment of heterogeneous experimental information (CALPHAD method).Fortran 90/95 programming.