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

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Abstract

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.

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Acknowledgements

This work was supported by the Russian Science Foundation (Project No. 22-11-00036).

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Authors and Affiliations

  1. Ulyanovsk State University, Ulyanovsk, Russia, 432017

    Pavel E. L’vov

  2. Institute of Nanotechnology of Microelectronics of the Russian Academy of Science, Moscow, Russia, 119991

    Pavel E. L’vov

  3. Scientific–Manufacturing Complex “Technological Centre”, Moscow, Russia, 124498

    Vyacheslav V. Svetukhin

Authors
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Correspondence to Pavel E. L’vov.

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L’vov, P.E., Svetukhin, V.V. Solute diffusion in polycrystals with migrating grain boundaries: phase-field approach. J Mater Sci 59, 10904–10919 (2024). https://doi.org/10.1007/s10853-024-09826-8

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