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A phase field study of strain energy effects on solute–grain boundary interactions / Tae Wook Heo in Acta materialia, Vol. 59 N° 20 (Décembre 2011) 

Public ISBD [article]  in Acta materialia > Vol. 59 N° 20 (Décembre 2011) . - pp. 7800–7815 Titre : A phase field study of strain energy effects on solute–grain boundary interactions Type de document : texte imprimé Auteurs : Tae Wook Heo, Auteur ; Saswata Bhattacharyya, Auteur ; Long-Qing Chen, Auteur Année de publication : 2012 Article en page(s) : pp. 7800–7815 Note générale : Métallurgie Langues : Anglais (eng) Mots-clés : Grain  boundary  segregation  Solute  drag  effect  Elastic  strain  energy  Phase  field  model Résumé : 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. ISSN : 1359-6454 En ligne : http://www.sciencedirect.com/science/article/pii/S1359645411006227 [article] A phase field study of strain energy effects on solute–grain boundary interactions [texte imprimé] / Tae Wook Heo, Auteur ; Saswata Bhattacharyya, Auteur ; Long-Qing Chen, Auteur . - 2012 . - pp. 7800–7815. Métallurgie Langues : Anglais (eng) in Acta materialia > Vol. 59 N° 20 (Décembre 2011) . - pp. 7800–7815 Mots-clés : Grain  boundary  segregation  Solute  drag  effect  Elastic  strain  energy  Phase  field  model Résumé : 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. ISSN : 1359-6454 En ligne : http://www.sciencedirect.com/science/article/pii/S1359645411006227