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Quantitative phase field simulations of polycrystalline solidification using a vector order parameter.

Tatu Pinomaa1, Nana Ofori-Opoku2, Anssi Laukkanen1

  • 1ICME Group, VTT Technical Research Centre of Finland Ltd., Espoo 02044, Finland.

Physical Review. E
|June 17, 2021
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Summary
This summary is machine-generated.

A novel vector order parameter phase field model simulates polycrystalline alloy solidification. This efficient computational tool accurately models grain growth, boundary energy, and nucleation, offering a practical alternative for materials simulation.

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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Phase Field Modeling

Background:

  • Traditional phase field models face challenges in simulating complex polycrystalline microstructures.
  • Modeling grain interactions and nucleation requires advanced theoretical frameworks.

Purpose of the Study:

  • To present a vector order parameter phase field model as an alternative for polycrystalline solidification.
  • To demonstrate the model's capability in simulating dendritic growth, grain boundary energy, and nucleation.

Main Methods:

  • Development of a grand potential functional with discrete wells for a single vector field.
  • Verification of the model against established quantitative behaviors in the thin interface limit.
  • Analysis of polycrystalline aggregate coarsening kinetics and nucleation via thermal fluctuations.

Main Results:

  • The model accurately reproduces dendritic solidification in binary alloys.
  • Grain boundary energy and solute back-diffusion align with theoretical predictions.
  • Polycrystalline coarsening follows the parabolic growth law, and nucleation is modeled effectively.

Conclusions:

  • The vector order parameter model provides a practical and efficient computational tool for simulating polycrystalline materials.
  • It offers a consistent approach to nucleation that is challenging for multiphase models.
  • The model is extendable to higher dimensions for simulating multiple solid phases.