Development and Numerical Testing of a Model of Equiaxed Alloy Solidification Using a Phase Field Formulation

Abstract

A computational framework is developed to understand the transient behavior of isothermal and non-isothermal transformation between liquid and solid phases in a binary alloy using a phase-field method. The non-isothermal condition was achieved by applying a thermal gradient along the computational domain. The bulk solid and liquid phases were treated as regular solutions, along with introducing an order parameter (phase field) as a function of space and time to describe the interfacial region between the two phases. An antitrapping flux term was integrated into the present phase-field model to mitigate the amount of solute trapping, which is characterized by the non-equilibrium partitioning of the solute. The governing equations for the phase field and the solute composition were solved by the cell-centered finite volume method using the open-source computational tool OpenFOAM. Simulations were carried out for the evolution of equiaxed dendrites inside an undercooled melt of a binary alloy, considering the effect of various computational parameters such as interface thickness, strength of crystal anisotropy, stochastic noise amplitude, and initial orientation. The simulated results show that the solidification morphology is sensitive to the magnitude of anisotropy as well as the amplitude of noise. A strong influence of interface thickness on the growth morphology and solute redistribution during solidification was observed. Incorporating antitrapping flux resulted in the solute partitioning close to the equilibrium value. Simulations show that the grain shape is unaffected by changes to crystallographic orientation with respect to the Cartesian computational grid. Thermal gradients exerted discernible effects on the solute distribution and the dendritic growth pattern. Starting with multiple nucleation events the model predicted realistic polycrystalline solidification and as-solidified microstructure.