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Two new phase-field models accurately compute interfacial compositions efficiently. One model uses convergence calculations, while the improved version achieves similar results without them, validated by Ni-Al-Cr and Ag-Cu-Sn alloy solidification.

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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Chemical Engineering

Background:

  • Accurate computation of interfacial composition is crucial for understanding alloy solidification.
  • Phase-field modeling is a powerful tool for simulating microstructural evolution.
  • Existing models may face challenges in computational efficiency and accuracy.

Purpose of the Study:

  • To develop and validate novel phase-field models for computing interfacial compositions.
  • To enhance computational efficiency and accuracy in phase-field simulations.
  • To investigate the influence of interfacial curvature on composition via the Gibbs-Thomson effect.

Main Methods:

  • Formulation of two distinct phase-field models.
  • Implementation of convergence calculations for the equal diffusion potential condition in the first model.
  • Development of a second model that bypasses explicit convergence calculations.
  • Application of models to simulate solidification of Ni-Al-Cr and Ag-Cu-Sn alloys.

Main Results:

  • Both models demonstrate high computational accuracy and efficiency.
  • The second model achieves computational outcomes strongly agreeing with the first model, despite lacking explicit convergence calculations.
  • Observed compositional changes due to interfacial curvature align with the Gibbs-Thomson effect.
  • Successful application to case studies of Ni-Al-Cr and Ag-Cu-Sn alloy solidification.

Conclusions:

  • The proposed phase-field models offer a computationally precise and efficient approach to determining interfacial compositions.
  • The second model presents a more streamlined method without compromising accuracy.
  • These models provide valuable insights into alloy solidification phenomena, including curvature-driven compositional effects.