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Phase Field Approach to Heterogeneous Crystal Nucleation in Alloys



James A. Warren, T Pusztai, L Kornyei, L Granasy


We extend the phase field model of heterogeneous crystal nucleation developed recently [L. Granasy, T. Pusztai, D. Saylor, and J. A. Warren, Phys. Rev. Lett. 98, 035703 (2007)] to binary alloys. Three approaches are considered to incorporate foreign walls of turnable wetting properties into phase field simulations: a continuum realization of the classical spherical cap model (called Model A. herein), a non-classical approach (Model B) that leads to ordering of the liquid at the wall, and to the appearance of a surface spinodal, and a non-classical model (Model C) that allows for the appearance of local states at the wall that are accessible in the bulk phases only via thermal fluctuations. We illustrate the potential of the presented phase field methods for describing complex polycrystalline solidification morphologies including the shish-kebab structure, columnar to equiaxed transition, and front-particle interfaction in binary alloys.
Physical Review B (Condensed Matter and Materials Physics)


wetting, nucleation, phase-field


Warren, J. , Pusztai, T. , Kornyei, L. and Granasy, L. (2009), Phase Field Approach to Heterogeneous Crystal Nucleation in Alloys, Physical Review B (Condensed Matter and Materials Physics) (Accessed June 16, 2024)


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Created January 11, 2009, Updated February 19, 2017