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Abstract

As-solidified microstructures of near-eutectic alloys often contain multiple primary phases that are not expected from equilibrium phase diagrams. Such microstructures are caused by cooling-rate-dependent solidification pathways, a factor not captured by the Scheil–Gulliver model or variations thereof. Here, we present a model and algorithm that incorporate the critical nucleation undercooling for each solid phase into the Scheil–Gulliver model. We hypothesize that the non-equilibrium microstructure formation is primarily governed by a nucleation-competition mechanism. This mechanism accounts for both stable/metastable phase selection and primary-phase formation within eutectic regions driven by asymmetric nucleation barriers. The model is validated against a hypereutectic Al-Fe alloy, where it successfully reproduces the observed microstructural constituents, revealing the key dependencies of solidification microstructure on nucleation kinetics. Applicability to multicomponent systems is demonstrated through a hypereutectic Al–Fe–Si ternary alloy, where the model successfully predicts divorced eutectic microstructures and the associated oscillatory solidification pathways along univariant lines. The proposed framework establishes a nucleation-dependent computational approach for interpreting and predicting solidification microstructures.

Original languageEnglish
Article number122297
JournalActa Materialia
Volume314
DOIs
StatePublished - Aug 1 2026

Funding

Research was sponsored by the U.S. Department of Energy (DOE) , Vehicle Technologies Office , Lightweight Materials Core Program (LMCP) . This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. DOE. This research used resources from the ORNL Research Cloud Infrastructure at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. DOE . The authors would like to thank Tom Watkins for his support of this program, and Hsin Wang for experimental support. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05- 00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ).

Keywords

  • Alloy design
  • As-cast microstructure
  • Computational thermodynamics
  • Nucleation
  • Solidification

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