Thermodynamic coupling and interfacial non-equilibrium in a finite-diffusion model of microsegregation

Christopher A. Hareland*, Peter W. Voorhees

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

We introduce both CALPHAD coupling and interfacial non-equilibrium to a model of microsegregation that accounts for finite diffusion. The approach can also be used to perform Gulliver–Scheil calculations using a kinetic phase diagram, which would normally involve solving an underdetermined system of equations. The non-equilibrium finite-diffusion model is first applied to the Ag–15wt.%Cu system, where we find that previously reported experimental measurements can be completely described with the full non-linear phase diagram and the choice of appropriate kinetic constitutive parameters, indicating that the effects of finite liquid diffusion remain significant under processing conditions relevant to additive manufacturing. The model is enhanced to account for multiple phases forming from the liquid and then applied to a multicomponent Co-base superalloy, showing that finite liquid diffusion can influence both the compositions and fractions of secondary solid phases.

Original languageEnglish (US)
Article number102744
JournalCalphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume87
DOIs
StatePublished - Dec 2024

Funding

CAH acknowledges support from the National Science Foundation Graduate Research Fellowship (grant number DGE-1842165 ). CAH and PWV acknowledge the financial assistance award 70NANB14H012 from the U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD).

Keywords

  • CALPHAD
  • Microsegregation
  • Multicomponent solidification
  • Rapid solidification

ASJC Scopus subject areas

  • General Chemistry
  • General Chemical Engineering
  • Computer Science Applications

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