Diffusion in Complex Phases Examples

Diffusion in a system with B2 ordering

In this example folder, there is also a datafile AlFeNi-data.TDB, which contains both a thermodynamic and kinetic description for the ordered and disordered bcc.

Diffusion of carbon in cementite

This example demonstrates the use of the model for calculation of diffusion through a stoichiometric phase. The flux of a component in the stoichiometric phase is assumed to be proportional to the difference in chemical potential at each side of the stoichiometric phase multiplied with the mobility for the component in the phase. The mobility is assessed from experimental information and is basically the tracer diffusivity for the component.

This calculation is compared with experimental data where a sample of pure iron has been exposed to a gas atmosphere with a certain carbon activity. The weight gain is then measured as a function of time. The experimental data is obtained from [1982Ozt].

Diffusion in iron oxide (FeO)

This example shows the oxidation of an iron sample and the consequent growth of an oxide layer.

Diffusion in iron oxide (FeO) with a grain boundary contribution

This example shows the oxidation of an iron sample and the consequent growth of an oxide layer using the grain boundary diffusion contribution model.

[1982Ozt] B. Ozturk, V. L. Fearing, J. A. Ruth, G. Simkovich, Self-Diffusion Coefficients of Carbon in Fe3C at 723 K via the Kinetics of Formation of This Compound. Metall. Trans. A 13, 1871–1873 (1982).