Thermodynamic Model for Lattice Point Defect-Mediated Semi-Coherent Precipitation in Alloys

The formation of precipitates with an atomic volume different from their parent phase eventually leads to a loss of the lattice continuity at the matrix–precipitate interface. Here, we show the creation or removal of lattice sites mediated by lattice point defects is an accommodation mechanism of the coherency loss and even a precipitation driving force. We introduce a thermodynamic approach that rationalizes the selection of phases resulting from chemical and crystallographic constraints in relation to point defect properties. The resulting semi-coherent phase diagram and the precipitation kinetic model depend on the equilibrium phase diagram, the eigenstrain of the precipitating phase, and the chemical potential of point defects. From a joint experimental and modeling study, we uncover the prominent role of excess point defects in unforeseen phase transformations of the Fe–Ni metallic system under irradiation. By addressing the fundamental role of lattice point defects in the accommodation mechanisms of precipitation, we provide a step torwards the understanding of semi-coherent phase transformations occurring in solid materials upon synthesis and in use. Precipitation of secondary phases in a crystalline matrix often leads to the loss of coherency at the phase boundary. Here, a thermodynamic model for precipitation is presented that takes into account the role of lattice point defects on the accommodation mechanism of coherency loss.