Interplay between thermal and compositional gradients decides the microstructure during thermomigration: a phase-field study

TL;DR

This study develops a phase-field model to investigate how thermal and compositional gradients influence microstructure evolution and precipitate migration during thermomigration in alloys, validated by experiments and analytical models.

Contribution

We introduce a coupled phase-field model for thermomigration that captures precipitate behavior under thermal gradients, including size-dependent migration and coarsening effects.

Findings

Thermal gradients cause precipitate migration towards high-temperature regions.

Smaller particles grow while larger ones shrink under thermal gradients, contrary to Ostwald ripening.

Migration rates and composition profiles match analytical predictions.

Abstract

The presence of thermal gradients in alloys often leads to non-uniformity in concentration profiles, which can induce the thermomigration of microstructural features such as precipitates. To investigate such microstructural changes, we present a phase-field model that incorporates coupling between concentration and thermal gradients. First, we simulated the evolution of non-uniform concentration profiles in the single-phase regions of Fe-C and Fe-N alloy systems due to imposed thermal gradients. To validate our model with the classical experiments performed by Darken and Oriani, we studied the evolution of spatially varying concentration profiles where thermal gradients encompass single-phase and two-phase regions. We developed a parameterized thermodynamic description of the two-phase region of a binary alloy to systematically study the effect of interactions between chemically-driven and thermal gradient-driven diffusion of solute on the evolution of precipitates. Our simulations show how thermal gradient, precipitate size, and interparticle distance influence the migration and associated morphological changes of precipitates. The composition profiles and migration rates obtained from single-particle simulations show an exact match with our analytical model. We use twoparticle simulations to show conditions under which thermomigration induces the growth of the smaller particle and shrinkage of the larger one in contrast to the isothermal Ostwald ripening behavior. Our multiparticle simulations show similar behavior during coarsening. Moreover, in the presence of a thermal gradient, there is a shift in the center of mass of the precipitates towards the high-temperature region. Thus, our study offers new insights into the phenomena of microstructure evolution in the presence of thermal gradient.