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Upgrading CALPHAD to microstructure simulation: the phase-field method

  • Suzana G. Fries , Bernd Boettger , Janin Eiken und Ingo Steinbach
Veröffentlicht/Copyright: 11. Juni 2013
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International Journal of Materials Research
Aus der Zeitschrift International Journal of Materials Research Band 100 Heft 2

Abstract

By amending the time and space evolution of interfaces to the CALPHAD Gibbsian phase descriptions, the phase-field method now makes realistic microstructure simulations possible. This combination allows incorporating more than one century of accumulated experimental information, consistently synthesized in the thermodynamic and kinetic CALPHAD databases, into multicomponent, multiphase, 3-dimensional microstructure evolution simulations. It represents a large step in materials design and a call for creative contributions from a growing interdisciplinary community. The approach is illustrated by steel and magnesium alloy microstructure simulations.

Keywords: CALPHAD; Phase-field; Microstructure; Phase-transformations; Steels; Mg-base
* Correspondence address, Prof. Dr. rer.nat Ingo Steinbach, ICAMS Institute, Ruhr Universität Bochum, Stiepeler Str. 129, D-44801 Bochum, Germany, Tel.: +49 234 32 29 371, Fax: +49 234 32 14 989, E-mail:

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Received: 2008-11-23
Accepted: 2008-12-3
Published Online: 2013-06-11
Published in Print: 2009-02-01

© 2009, Carl Hanser Verlag, München

Artikel in diesem Heft

  1. Contents
  2. Contents
  3. Feature
  4. Materials constitution and computational thermodynamics in the context of 100 years of IJMR – Zeitschrift für Metallkunde
  5. Upgrading CALPHAD to microstructure simulation: the phase-field method
  6. Prediction, determination and validation of phase diagrams via the global study of energy landscapes
  7. Alloy development using modern tools
  8. Phase equilibria and thermal analysis in the Fe–Mn–Ni system
  9. Integrated approach to thermodynamics, phase relations, liquid densities and solidification microstructures in the Al–Bi–Cu system
  10. Formation of clathrates Ba–M–Ge(M = Mn, Fe, Co)
  11. New paradigm of a metastable phase diagram presenting structural transformations induced by annealing of Si–C–N amorphous ceramics derived from polymer precursors
  12. Basic
  13. Thermodynamic assessment of the Ce–Si, Y–Si, Mg–Ce–Si and Mg–Y–Si systems
  14. Thermodynamic re-assessment of the Ti–Al–Nb system
  15. Effect of varying oxygen partial pressure on the properties of reactively evaporated zinc aluminate thin films
  16. Applied
  17. Matrix induced synthesis of Y3Al5O12: Ce phosphor through the Pechini method
  18. Microstructure and room temperature compressive properties of holmium doped DS NiAl-Cr(Mo)-Hf eutectic alloy
  19. Evaporation mechanism of aluminum during electron beam cold hearth melting of Ti64 alloy
  20. 560°C isothermal section of the Zn–Fe–Ni–Si quaternary system at the zinc-rich corner
  21. DGM News
  22. Personal
https://doi.org/10.3139/146.110013
Schlagwörter für diesen Artikel
CALPHAD; Phase-field; Microstructure; Phase-transformations; Steels; Mg-base

Artikel in diesem Heft

  1. Contents
  2. Contents
  3. Feature
  4. Materials constitution and computational thermodynamics in the context of 100 years of IJMR – Zeitschrift für Metallkunde
  5. Upgrading CALPHAD to microstructure simulation: the phase-field method
  6. Prediction, determination and validation of phase diagrams via the global study of energy landscapes
  7. Alloy development using modern tools
  8. Phase equilibria and thermal analysis in the Fe–Mn–Ni system
  9. Integrated approach to thermodynamics, phase relations, liquid densities and solidification microstructures in the Al–Bi–Cu system
  10. Formation of clathrates Ba–M–Ge(M = Mn, Fe, Co)
  11. New paradigm of a metastable phase diagram presenting structural transformations induced by annealing of Si–C–N amorphous ceramics derived from polymer precursors
  12. Basic
  13. Thermodynamic assessment of the Ce–Si, Y–Si, Mg–Ce–Si and Mg–Y–Si systems
  14. Thermodynamic re-assessment of the Ti–Al–Nb system
  15. Effect of varying oxygen partial pressure on the properties of reactively evaporated zinc aluminate thin films
  16. Applied
  17. Matrix induced synthesis of Y3Al5O12: Ce phosphor through the Pechini method
  18. Microstructure and room temperature compressive properties of holmium doped DS NiAl-Cr(Mo)-Hf eutectic alloy
  19. Evaporation mechanism of aluminum during electron beam cold hearth melting of Ti64 alloy
  20. 560°C isothermal section of the Zn–Fe–Ni–Si quaternary system at the zinc-rich corner
  21. DGM News
  22. Personal
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