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Phase field models for step flow.

O Pierre-Louis1

  • 1LSP-Grephe, CNRS/UJF, Grenoble 1, Boîte Postale 87, F-38042 Saint Martin d'Hères Cedex, France.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|October 4, 2003
PubMed
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Phase field and discontinuous models for crystal growth are compared. The study clarifies kinetic boundary conditions and shows phase field models can recover discontinuous models with accurate step kinetics.

Area of Science:

  • Materials Science
  • Surface Science
  • Computational Physics

Background:

  • Crystal growth simulations often use phase field or discontinuous models.
  • Understanding the relationship between these models is crucial for accurate simulations.
  • Kinetic boundary conditions govern the dynamics of crystal step edges.

Purpose of the Study:

  • To analyze the relationship between phase field and discontinuous models for crystal steps.
  • To clarify the role of interface definition and step motion in kinetic boundary conditions.
  • To identify the thermodynamically consistent reference state for kinetic boundary conditions.

Main Methods:

  • Analysis of kinetic boundary conditions in discontinuous models.
  • Asymptotic expansion of phase field models for small interface widths.

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  • Numerical and analytical solutions for quantitative comparison.
  • Main Results:

    • Step transparency can be viewed as a modification of equilibrium concentration due to step motion.
    • Interface definition impacts kinetic coefficients only for fast attachment kinetics.
    • Two types of phase field models were shown to recover discontinuous models with specific step kinetics.

    Conclusions:

    • Phase field models provide a rigorous framework to derive discontinuous models.
    • The choice of phase field model formulation dictates the recovered step kinetics.
    • Quantitative agreement validates the connection between phase field and discontinuous models.