2011 | OriginalPaper | Chapter
20. The CALPHAD Method
Author : Hiroshi Ohtani, Prof.
Published in: Springer Handbook of Metrology and Testing
Publisher: Springer Berlin Heidelberg
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Abstract
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In the first part, a brief outline of the CALPHAD method is summarized.
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In the second part, the method for deriving the Gibbs free energies incorporating the ab initio calculations is presented in order to clarify the uncertainty of thermodynamic properties for metastable solution phases, taking the Fe–Be-based bcc phase as an example. Some results
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In the third part the application to predict thermodynamic properties of compound phases is discussed. The thermodynamic modeling for the Perovskite carbide with an E21-type structure in the Fe–Al–C, Co–Al–C and Ni–Al–C ternary systems is illustrated, and constructions of phase diagrams are performed.