Growth kinetics and morphological stability of precipitates in 3-D: a phase field study

TL;DR

This study uses phase field models to analyze 3-D precipitate growth kinetics, revealing deviations from classical solutions due to curvature effects and interface kinetics, and explores conditions leading to morphological instabilities.

Contribution

It introduces a phase field modeling approach to accurately simulate 3-D precipitate growth and stability, accounting for curvature and kinetic effects not captured by classical theories.

Findings

Deviations from Zener and Frank solutions due to 3-D curvature effects.

Kinetic parameters can be tuned to minimize growth deviations.

Interface kinetics influence morphological stability and instability onset.

Abstract

We have studied the growth kinetics of isolated precipitates growing from a supersaturated matrix in 3-dimensions (3-D) using phase field models; we assume isotropic interfacial energy consider both constant and variable diffusivity. We report and compare our numerical growth rates with the classic analytical solutions of Zener and Frank (ZF). The numerical results deviate from the analytical ones. These deviations can be understood in terms of the generalised Gibbs-Thomson effect. Specifically, due to the higher capillary contribution in 3-D (curvature is twice for a sphere compared to a circle), the precipitate growth kinetics deviates more from ZF in 3-D as compared to 2-D. In addition, the kinetic parameter associated with the normal velocity of the precipitate-matrix interface also modifies the deviation of the precipitate composition from its equilibrium value and hence its growth kinetics. In phase field models (such as the one used by us) which use a combination of Allen-Cahn and Cahn-Hilliard type equations, we show how to choose the kinetic parameters (namely, mobility and relaxation parameter) so that the kinetic coefficient (in the generalised Gibbs-Thomson equation) is made effectively zero. We also show that the kinetic parameter the precipitate-matrix interface might play a crucial role in making the precipitate undergo morphological instabilities as it grows (leading to "sea-weed"-like structures).