Phase Field Theory of Heterogeneous Crystal Nucleation

Gránásy, László and Pusztai, Tamás and Saylor, David and Warren, James A. (2007) Phase Field Theory of Heterogeneous Crystal Nucleation. PHYSICAL REVIEW LETTERS, 98. pp. 1-4. ISSN 0031-9007

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Abstract

The phase field approach is used to model heterogeneous crystal nucleation in an undercooled pure liquid in contact with a foreign 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. For particular choices of boundary conditions, we may realize either an analog of the classical spherical cap model or decidedly nonclassical behavior, where the contact angle decreases from its value taken at the melting point towards complete wetting at a critical undercooling, an analogue of the surface spinodal of liquid-wall interfaces.

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