Thermodynamics, Kinetics and Microstructure Modelling

1. Definition of Gibbs free energy a. Enthalpy b. Entropy c. Gibbs free energy 2. Two phase system with one component 3. One phase system with two components a. Entropy of mixing b. Energy of mixing c. Total Gibbs free energy d. A simple phase diagram e. Chemical potential 4. Two phase system with two components a. Phase diagram for case with zero excess energy b. Equilibrium conditions in two phase regions c. Effect of excess (mixing) energies on phase diagrams (Exercise) 5. Sub-lattice models and stoichiometric phases a. Sub-lattice model b. Phase diagrams and stoichiometric phases 6. Real binary systems 7. Energy change for nucleation of new phases in binary systems a. Relation to classical nucleation theory 8. Ternary systems and beyond a. How to read a ternary phase diagram b. A simple ABC ternary system c. A real ternary system (Ga – Sb – Zn) 9. A real multicomponent system (Inconel 617) 10. Microstructure and material properties a. Yield stress b. Creep 11. Kinetic processes a. Constitutive law for diffusion b. Rate of change of composition c. TDB files and mobility databases 12. Nucleation energy a. Homogeneous nucleation b. Heterogeneous nucleation 13. Nucleation rate 14. Precipitate growth a. Interface-controlled growth b. Diffusion-controlled growth
15. Coarsening a. A macroscopic model of coarsening b. A microscopic view of coarsening (Gibbs-Thomson relationship) 16. Putting it altogether a. A two-particle model b. Population balance (or KWN) models 17. Massive transformations a. Avrami equation b. A fast, single variable model for phase transformations c. Metastable phases