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Multiphase/multicomponent modeling of solidification processes: coupling solidification kinetics with thermodynamics

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Published/Copyright: June 11, 2013
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International Journal of Materials Research
From the journal International Journal of Materials Research Volume 99 Issue 6

Abstract

This paper is an extension and improvement of the previous work of the authors. It presents further development of a coupling method between a multiphase Eulerian solidification model and the thermodynamics of multicomponental alloys. The transport equations of the multiphase solidification model are closed by the interphase transfer/exchange terms. The derivation of these terms is based on the diffusion-controlled solidification kinetics and thermodynamics. Direct online coupling of a computational fluid dynamics solver with a thermodynamic software package is time-consuming, therefore a way to access thermodynamic data by means of the tabulation and interpolation technique (In-Situ Adaptive Tabulation) is suggested. The coupling procedure is described and tested with a 0-D solidification benchmark case. Additionally, the suggested coupling method is used to simulate a casting process of a CuSn6P0.5 round strand, which demonstrated the application potential of the coupling idea. The predicted macrosegregations of Sn and P for this casting process shows the same distribution pattern as observed in practice, namely positive segregation in the vicinity of the wall region and negative one in the center of the casting.

Keywords: Thermodynamics; Ternary; Solidification; Macrosegregation
* Correspondence address, Mr. Anton Ishmurzin CD-Laboratory for Multiphase Modelling of Metallurgical Processes, Department of Metallurgy, University of LeobenA-8700 Leoben, Austria. Tel.: +43 3842 402 2225 Fax: +43 3842 402 2202 E-Mail:

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Received: 2007-12-17
Accepted: 2008-2-17
Published Online: 2013-06-11
Published in Print: 2008-06-01

© 2008, Carl Hanser Verlag, München

Articles in the same Issue

  1. Contents
  2. Contents
  3. Editorial
  4. 1st Sino-German Symposium on Computational Thermodynamics and Kinetics and their Applications to Solidification
  5. Basic
  6. First-principles calculations of the thermodynamic and elastic properties of the L12-based Al3RE (RE = Sc, Y, La–Lu)
  7. From binary assessments to thermodynamic databases
  8. Construction of the Al–Ni–Si phase diagram over the whole composition and temperature ranges: thermodynamic modeling supported by key experiments and first-principles calculations
  9. Modeling rapid liquid/solid and solid/liquid phase transformations in Al alloys
  10. Multiphase/multicomponent modeling of solidification processes: coupling solidification kinetics with thermodynamics
  11. Molecular dynamics study of the hcp–bcc phase transformation in nanocrystalline zirconium
  12. Thermodynamic description of multi-component multi-phase alloys and its application to the solidification process
  13. Applied
  14. Phase-diagram-related problems in thermoelectric materials: Skutterudites as an example
  15. Phase equilibria of the Al–Ni–Zn system at 340°C
  16. Thermodynamic description of the Ce-Mg-Y and Mg-Nd-Y systems
  17. Experimental and theoretical study of the phase relations in the zinc-rich corner of the Zn–Fe–Cr system at 450°C
  18. Formation of primary TiN precipitates during solidification of microalloyed steels – Scheil versus DICTRA simulations
  19. ThermoCalc-based numerical computations for temperature, fraction of solid phase and composition couplings in alloy solidification
  20. Effect of yttrium addition on the glass forming ability of Co-based alloys
  21. Phase equilibria in the Y–Ti–Si system at 773 K
  22. DGM News
  23. Personal
https://doi.org/10.3139/146.101682
Keywords for this article
Thermodynamics; Ternary; Solidification; Macrosegregation

Articles in the same Issue

  1. Contents
  2. Contents
  3. Editorial
  4. 1st Sino-German Symposium on Computational Thermodynamics and Kinetics and their Applications to Solidification
  5. Basic
  6. First-principles calculations of the thermodynamic and elastic properties of the L12-based Al3RE (RE = Sc, Y, La–Lu)
  7. From binary assessments to thermodynamic databases
  8. Construction of the Al–Ni–Si phase diagram over the whole composition and temperature ranges: thermodynamic modeling supported by key experiments and first-principles calculations
  9. Modeling rapid liquid/solid and solid/liquid phase transformations in Al alloys
  10. Multiphase/multicomponent modeling of solidification processes: coupling solidification kinetics with thermodynamics
  11. Molecular dynamics study of the hcp–bcc phase transformation in nanocrystalline zirconium
  12. Thermodynamic description of multi-component multi-phase alloys and its application to the solidification process
  13. Applied
  14. Phase-diagram-related problems in thermoelectric materials: Skutterudites as an example
  15. Phase equilibria of the Al–Ni–Zn system at 340°C
  16. Thermodynamic description of the Ce-Mg-Y and Mg-Nd-Y systems
  17. Experimental and theoretical study of the phase relations in the zinc-rich corner of the Zn–Fe–Cr system at 450°C
  18. Formation of primary TiN precipitates during solidification of microalloyed steels – Scheil versus DICTRA simulations
  19. ThermoCalc-based numerical computations for temperature, fraction of solid phase and composition couplings in alloy solidification
  20. Effect of yttrium addition on the glass forming ability of Co-based alloys
  21. Phase equilibria in the Y–Ti–Si system at 773 K
  22. DGM News
  23. Personal
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