Computer simulation of diffusion in multiphase systems

• DOI: 10.1007/bf02652288
• Publication Date: 2007-07-06T05:59:12Z
• Authors: Anders Engström; Lars Höglund; John Ågren
• Keywords: 02 engineering and technology; 0210 nano-technology

A general model to treat multicomponent diffusion in multiphase dispersions is presented. The model is based on multicomponent diffusion data and basic thermodynamic data and contains no adjustable parameters. No restriction is placed on the number of components or phases that take part in the calculations, as long as the necessary thermodynamic and kinetic data are available. The new model is implemented into the DICTRA software, which makes use of THERMO-CALC to handle the thermodynamics. The model is applied to carburization of Ni alloys and heat treatment of welded joints between dissimilar materials. In both cases, the diffusion is accompanied by carbide formation or dissolution. A good agreement between experiments and calculations is found, despite the fact that no adjustable parameters are needed.