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Multiphase-field model for surface diffusion and attachment kinetics in the grand-potential framework.

Paul W Hoffrogge1, Arnab Mukherjee2, E S Nani1

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This summary is machine-generated.

This study introduces a new multiphase-field model incorporating surface diffusion, offering a computationally efficient method for simulating material interfaces. The model accurately captures thermal grooving phenomena, validating its effectiveness for alloys and pure substances.

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Area of Science:

  • Materials Science
  • Computational Modeling
  • Surface Science

Background:

  • Classical Cahn-Hilliard models face challenges in accurately simulating interface diffusion.
  • Multiphase-field models require robust methods to handle surface diffusion and attachment kinetics.

Purpose of the Study:

  • To develop and validate an extended grand-potential multiphase-field model that includes surface diffusion.
  • To provide a computationally cost-effective approach for simulating interface phenomena in materials.

Main Methods:

  • Incorporation of surface diffusion via a scalar degenerate term into a grand-potential multiphase-field framework.
  • Combination of an Allen-Cahn-type equation for phase field and a conservative diffusion equation for chemical potential.
  • Asymptotic analysis to deduce sharp interface limiting behavior and validate against theoretical solutions.

Main Results:

  • The model successfully retrieves a governing law combining surface diffusion and finite attachment kinetics.
  • Quantitative relations between model parameters and physical properties are established for accurate interpretation.
  • Extensive validation through thermal grooving simulations shows excellent agreement with sharp-interface theories.

Conclusions:

  • The developed multiphase-field model offers a computationally efficient and accurate method for simulating surface diffusion-driven phenomena.
  • The model's flexibility allows for handling both pure substances and alloys, with potential for infinite attachment kinetics.
  • This approach overcomes limitations of traditional models, providing a valuable tool for materials science research.