CALPHAD - Computer Coupling of Phase Diagrams and Thermochemistry


CALPHAD - Computer Coupling of Phase Diagrams and Thermochemistry

The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference. Contributions of high quality in these and related fields, especially the fields of first-principles calculations, experimental measurements of thermochemical and phase equilibrium data, phase transformations, and the process and materials designs that the CALPHAD works are based on or used for, are welcome.


We believe that substantial progress can be made in a short period of time if we could arrange to work together for one week at one of our facilities to define problems, disband, carry out some individual activities, and meet again for a week at a second facilities to compare results and chart future activities.

------Kaufman and Ansara, 1973
“A Brief History of CALPHAD” by P.J. Spencer, CALPHAD, Vol. 32, 2008, Pages 1-8,

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