Numerical simulation of solid state phase transformations in gamma-TiAl alloys

Gamma titanium aluminide (γ-TiAl) based alloys are very interesting materials for structural applications at elevated temperatures owing to the combination of high specific strength, good oxidation, creep and fatigue resistance. However, their relatively poor ductility and fracture toughness remain important obstacles for their industrial applications in engineering components. The mechanical properties of these alloys, namely the poor room temperature ductility, as well as the yield stress, creep and fracture resistance, can be significantly improved by controlling the microstructure. These alloys undergo solid state phase transformations upon cooling from the high temperature α phase, which results in formation of different types of microstructures depending on the cooling conditions and the alloy composition. Low and moderate cooling rates lead to the precipitation of the γ phase as parallel plates within the α matrix, followed by the α → α2 ordering reaction. As a result of this transformation, the characteristic lamellar structure of TiAl is produced. Rapid cooling leads to a massive transformation from α to γ. It has been shown that the massive microstructure can be used as a precursor to obtain a refined microstructure through a subsequent tempering in the α + γ phase field. However, obtaining a fully massive microstructure at all depths in a component can be difficult to achieve. Numerical simulation of microstructure formation can be used as a tool to anticipate the microstructure distribution in a component depending on the local chemistry and cooling conditions. The main objective of this work was to develop microstructure models describing the formation of the massive and lamellar microstructures. Two distinct modeling approaches have been used. The first approach is a deterministic model having for objective to predict the microstructure distribution in a cast and heat treated component. The model was designed to be integrated into a FEM or FDM heat flow solver in order to calculate microstructural quantities such as the proportion of phases and lamellar spacings at each nodal point of the mesh. The modeling approach is based on a combination of nucleation and growth laws which take into account the specific mechanisms of each phase transformation. Nucleation of massive and lamellar γ is described with classical nucleation theory, accounting for the fact that nuclei are formed predominantly at α/α grain boundaries. Growth of the massive γ grains is based on theory for interface-controlled reactions. A modified Zener model is used to calculate the thickening rate of the lamellar γ precipitates. The model incorporates the effect of particle impingement and coverage of the nucleation sites by the growing phases. The driving pressures of the phase transformations are obtained from Thermo-Calc based on the actual temperature and matrix composition. The deterministic approach was used to calculate CCT diagrams and lamellar spacings, which