Phase-field model of grain boundary diffusion in nanocrystalline solids: Anisotropic fluctuations, anomalous diffusion, and precipitation

Abstract

The anisotropic phase-filed model of grain boundary diffusion and precipitation of solute in nanocrystalline solids has been developed. In this model, the Cahn–Hilliard equation is generalized for the anisotropic phase-field diffusion of solute and anisotropic compositional fluctuations. It is found that dynamics of solute concentration profile demonstrates the anomalous diffusion behavior with scaling parameters depending on the mobility ratio and microstructure of a solid solution. It is noteworthy that the increase in source concentration can slow down the concentration front propagation due to uphill diffusion or formation of a new phase. Parameters of grain boundary diffusion control the precipitation dynamics. In particular, a decrease in transverse diffusion coefficient is responsible for longer incubation time, and lower rates of nucleation and nuclei growth in comparison with the case of isotropic solute transport near grain boundaries. Transport properties of boundary and bulk are responsible for the formation of the bimodal size distribution function of second phase particles and specific kinetics of average radius and number density.