MSIT Winter School

MSIT Winter Schools comprise lectures given by the MSIT members and invited experts on Phase diagrams, Classical and Computational Thermodynamics, and Crystallography and related applicational topics.

Multicomponent diffusion – Theory, data and technical applications

John Ågren

Thermo-Calc Software AB and KTH



The theoretical basis of diffusion in multicomponent materials is reviewed. The analysis is based on a combined thermodynamic and kinetic approach. Special attention is paid to computational modeling and the needed input data. Construction of databases from experimental information is discussed. The ideas behind the DICTRA code are summarized.

Diffusion couples in binary and multicomponent systems are discussed and exemplified by simulation of diffusion of joints between dissimilar materials. Simulation of diffusion in multi-phase materials is reviewed. This includes growth and dissolution of particles as well as long-range diffusion in dispersed structures.

The setup of diffusion problems using DICTRA in graphical mode is demonstrated and the participants will get hands-on training.

A number of practical applications will be considered.

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