Solute diffusion in polycrystals with migrating grain boundaries: phase-field approach

In this study, we develop the phase-field model of anisotropic diffusion of solute in polycrystals with migrating grain boundaries (GBs), taking into account the interaction between the solution components in regular solution approximation. The analysis demonstrates that as the velocity of a flat is...

Full description

Saved in:
Bibliographic Details
Published in:Journal of materials science 2024-06, Vol.59 (24), p.10904-10919
Main Authors: L’vov, Pavel E., Svetukhin, Vyacheslav V.
Format: Article
Language:English
Subjects:
Characterization and Evaluation of Materials
Chemistry and Materials Science
Classical Mechanics
Computation & Theory
Crystallography and Scattering Methods
Diffusion coefficient
Diffusion theory
Direct numerical simulation
Grain boundaries
Grain growth
Materials Science
Polycrystals
Polymer Sciences
Solid Mechanics
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In this study, we develop the phase-field model of anisotropic diffusion of solute in polycrystals with migrating grain boundaries (GBs), taking into account the interaction between the solution components in regular solution approximation. The analysis demonstrates that as the velocity of a flat isolated GB increases, there is a corresponding reduction in the depth of solute penetration and an increase in the overall solute quantity. When the migration of the GB is driven by grain growth mechanisms, the total solute content may either increase, decrease, or display non-monotonic changes, contingent upon the dynamics governing the evolution of the GB extent, which might reduce due to microstructural coarsening. If the kinetic regimes B or C are realized, the relations for calculation of the GB diffusion coefficients derived within the GB diffusion theory can be modified taking into account the interatomic interaction. In the direct numerical simulation, we demonstrate that these modified relations can be used for the estimation of the effective GB mobility for relatively slow motion of GBs. It is shown that fast GB migration causes the underestimation of the GB solute mobility. The highest deviation is observed for C-type kinetics, where the ratio of the effective mobility of solute at stationary and migrating GBs reaches the value of ~ 4.8. Graphical abstract
ISSN:0022-2461
1573-4803
DOI:10.1007/s10853-024-09826-8