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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Petrov, R. H. | Madrid |
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Bih, L. |
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Casati, R. |
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Kočí, Jan | Prague |
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Azam, Siraj |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Eiken, J.
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article
CALPHAD and phase-field modeling: A successful liaison
Abstract
The connection between CALPHAD models and Phase-Field models is discussed against the background of minimization of the total Gibbs energy of a system. Both methods are based on separation of a multiphase system into individual contributions of the bulk phases, which are described by appropriate models in composition, temperature, and pressure. While the CALPHAD method uses a global minimization of the total Gibbs energy, the Phase-Field method introduces local interactions, interfaces, and diffusion and allows for non-equilibrium situations. Thus, the Phase-Field method is much more general by its concept, however, it can profit a lot if realistic thermodynamic descriptions, as provided by the CALPHAD method, are incorporated. The present paper discusses details of a direct coupling between the Multiphase-Field method and the CALPHAD method. Examples are presented from solidification of technical Mg and Ni base alloys and some problems arising from common practice concerning thermodynamic descriptions in order-disorder systems.