Mesoscale simulations of the kinetics of solid–solid phase transformations: Selecting the relevant interfacial compositions for shape-preserved growth

Christopher R. Hutchinson; Hatem S. Zurob

doi:10.1016/j.crhy.2010.07.006

Computational metallurgy and changes of scale / Métallurgie numérique et changements d'échelle

Mesoscale simulations of the kinetics of solid–solid phase transformations: Selecting the relevant interfacial compositions for shape-preserved growth

Christopher R. Hutchinson ¹ ; Hatem S. Zurob ²

¹ Department of Materials Engineering, Monash University, Clayton, 3800 Victoria, Australia
² Department of Materials Science and Engineering, McMaster University, Hamilton, Ontario, L8S 4L7 Canada

Comptes Rendus. Physique, Volume 11 (2010) no. 3-4, pp. 257-264.

Abstract
Résumé

A brief overview of the current state-of-the-art in choosing the interfacial compositions (or boundary conditions), for mesoscale, diffusion-controlled phase transformations, as practiced by the numerical metallurgy community, is presented. The physical processes that are currently thought to influence these values and the assumptions underlying the most common choices for the interfacial compositions are outlined. The need for a properly coupled, multiscale approach, that uses mesoscale simulation techniques to describe diffusion in the bulk phases, and atomistic simulation tools to describe the processes occurring within the interface (that influence the boundary conditions for the diffusion problem), is highlighted.

On présente dans cet article une rapide revue de l'état de l'art sur la question du choix des conditions à l'interface (ou conditions aux limites) pour des transformations de phases contrôlées par la diffusion, modélisées à l'échelle mésoscopique. On décline les procédés physiques qui sont actuellement admis comme contrôlant ces compositions d'interface, et les hypothèses sous jacentes aux différents choix communément sélectionnés. On insiste sur la nécessité de coupler correctement, dans une approche multiéchelle, impliquant en particulier l'échelle mésoscopique pour la description des champs de diffusion, et l'échelle atomistique pour décrire les procédés spécifiques de l'interface.

Published online: 2010-04-01

DOI: 10.1016/j.crhy.2010.07.006

Keywords: Interfacial compositions, Solute drag, Interface mobility, Diffusion-controlled growth
Mot clés : Compositions interfaciales, Trainage de solute, Mobilite des interfaces, Croissance contrôlée par la diffusion

Author's affiliations:

Christopher R. Hutchinson ¹; Hatem S. Zurob ²

¹ Department of Materials Engineering, Monash University, Clayton, 3800 Victoria, Australia
² Department of Materials Science and Engineering, McMaster University, Hamilton, Ontario, L8S 4L7 Canada

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Christopher R. Hutchinson; Hatem S. Zurob. Mesoscale simulations of the kinetics of solid–solid phase transformations: Selecting the relevant interfacial compositions for shape-preserved growth. Comptes Rendus. Physique, Volume 11 (2010) no. 3-4, pp. 257-264. doi : 10.1016/j.crhy.2010.07.006. https://comptes-rendus.academie-sciences.fr/physique/articles/10.1016/j.crhy.2010.07.006/

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