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Phase Field Theory of Heterogeneous Crystal Nucleation

László Gránásy·Tamás Pusztai·David Saylor·James A. Warren
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Abstract

A phase eld approach is developed to model wetting and heterogeneous crystal nucleation of an undercooled pure liquid in contact with a sharp wall. We discuss various choices for the boundary condition at the wall and determine the properties of critical nuclei, including their free energy of formation and the contact angle as a function of undercooling. We nd for particular choices of boundary conditions, we may realize either an analog of the classical spherical cap model or decidedly non-classical behavior, where the contact angle decreases from its value taken at the melting point towards complete wetting at a critical undercooling.

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László Gránásy, Tamás Pusztai, David Saylor, James A. Warren. 2006-08-17. Phase Field Theory of Heterogeneous Crystal Nucleation. https://doi.org/10.1103/physrevlett.98.035703

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