Phase-field modeling of coring during solidification of Au-Ni alloy using quaternions and CALPHAD input

J. L. Fattebert; M. E. Wickett; P. E.A. Turchi

doi:10.1016/j.actamat.2013.09.036

Phase-field modeling of coring during solidification of Au-Ni alloy using quaternions and CALPHAD input

J. L. Fattebert, M. E. Wickett, P. E.A. Turchi

Research output: Contribution to journal › Article › peer-review

32 Scopus citations

Abstract

A numerical method for the simulation of microstructure evolution during the solidification of an alloy is presented. The approach is based on a phase-field model including a phase variable, an orientation variable given by a quaternion, the alloy composition and a uniform temperature field. Energies and diffusion coefficients used in the model rely on thermodynamic and kinetic databases in the framework of the CALPHAD methodology. The numerical approach is based on a finite volume discretization and an implicit time-stepping algorithm. Numerical results for solidification and accompanying coring effect in a Au-Ni alloy are used to illustrate the methodology.

Original language	English
Pages (from-to)	89-104
Number of pages	16
Journal	Acta Materialia
Volume	62
Issue number	1
DOIs	https://doi.org/10.1016/j.actamat.2013.09.036
State	Published - Jan 2014
Externally published	Yes

Funding

The authors are grateful to Nele Moelans, Ming Tang and Milo Dorr for useful discussions. P.T. would also like to thank Lars Höglund for useful insights. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Work at LLNL was funded by the Laboratory Directed Research and Development Program under project tracking code 12-SI-008.

Funders	Funder number
U.S. Department of Energy
Lawrence Livermore National Laboratory	DE-AC52-07NA27344
Laboratory Directed Research and Development	12-SI-008

Keywords

Alloy
CALPHAD
Numerical method
Phase-field model
Solidification

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10.1016/j.actamat.2013.09.036

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abstract = "A numerical method for the simulation of microstructure evolution during the solidification of an alloy is presented. The approach is based on a phase-field model including a phase variable, an orientation variable given by a quaternion, the alloy composition and a uniform temperature field. Energies and diffusion coefficients used in the model rely on thermodynamic and kinetic databases in the framework of the CALPHAD methodology. The numerical approach is based on a finite volume discretization and an implicit time-stepping algorithm. Numerical results for solidification and accompanying coring effect in a Au-Ni alloy are used to illustrate the methodology.",

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AB - A numerical method for the simulation of microstructure evolution during the solidification of an alloy is presented. The approach is based on a phase-field model including a phase variable, an orientation variable given by a quaternion, the alloy composition and a uniform temperature field. Energies and diffusion coefficients used in the model rely on thermodynamic and kinetic databases in the framework of the CALPHAD methodology. The numerical approach is based on a finite volume discretization and an implicit time-stepping algorithm. Numerical results for solidification and accompanying coring effect in a Au-Ni alloy are used to illustrate the methodology.

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Phase-field modeling of coring during solidification of Au-Ni alloy using quaternions and CALPHAD input

Abstract

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