Journal
ACTA MATERIALIA
Volume 59, Issue 20, Pages 7800-7815Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2011.08.045
Keywords
Grain boundary segregation; Solute drag effect; Elastic strain energy; Phase field model
Funding
- NSF through the Center for Computational Materials Design [IIP-541674]
- NSF [DMR-0710483]
- Directorate For Engineering
- Div Of Industrial Innovation & Partnersh [1034965] Funding Source: National Science Foundation
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We have studied strain-induced solute segregation at a grain boundary and the solute drag effect on boundary migration using a phase field model integrating grain boundary segregation and grain structure evolution. The elastic strain energy of a solid solution due to the atomic size mismatch and the coherency elastic strain energy caused by the inhomogeneity of the composition distribution are obtained using Khachaturyan's microelasticity theory. Strain-induced grain boundary segregation at a static planar boundary is studied numerically and the equilibrium segregation composition profiles are validated using analytical solutions. We then systematically studied the effect of misfit strain on grain boundary migration with solute drag. Our theoretical analysis based on Cahn's analytical theory shows that enhancement of the drag force with increasing atomic size mismatch stems from both an increase in grain boundary segregation due to the strain energy reduction and misfit strain relaxation near the grain boundary. The results were analyzed based on a theoretical analysis in terms of elastic and chemical drag forces. The optimum condition for solute diffusivity to maximize the drag force under a given driving force was identified. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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