Invited review: Modelling of thermodynamics and diffusion in multicomponent systems

Abstract The availability of reliable materials data is key to the successful design of materials and manufacturing processes. Commercial alloys seldom consist of only two or three elements, but rather may contain a large number of elements for which the needed data are rarely available. The CALPHAD (calculation of phase diagrams method), as implemented in a number of software tools, enables the development of thermodynamic and diffusion databases and the extrapolation of these property data from binary and ternary systems to higher order systems. The computational methods used to calculate thermodynamic and diffusion properties can be invaluable in the design of new materials. In addition, the databases and software tools provide an efficient method of storing a wealth of data and allow efficient retrieval of the needed information. The present paper reviews the development and application of multicomponent thermodynamic and diffusion mobility databases using the CALPHAD method.

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