Phase field theory of heterogeneous crystal nucleation

László Gránásy, T. Pusztai, David Saylor, James A. Warren

Research output: Contribution to journalArticle

111 Citations (Scopus)

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.

Original languageEnglish
Article number035703
JournalPhysical Review Letters
Volume98
Issue number3
DOIs
Publication statusPublished - 2007

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nucleation
supercooling
analogs
boundary conditions
spherical caps
crystals
energy of formation
liquids
wetting
melting points
free energy
nuclei

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Phase field theory of heterogeneous crystal nucleation. / Gránásy, László; Pusztai, T.; Saylor, David; Warren, James A.

In: Physical Review Letters, Vol. 98, No. 3, 035703, 2007.

Research output: Contribution to journalArticle

Gránásy, László ; Pusztai, T. ; Saylor, David ; Warren, James A. / Phase field theory of heterogeneous crystal nucleation. In: Physical Review Letters. 2007 ; Vol. 98, No. 3.
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