Institute of Physics of Materials AS CR, v. v. i. > Projects > The impact of atomic trapping on diffusion and phase transformation kinetics

The impact of atomic trapping on diffusion and phase transformation kinetics

Co-investigatorRNDr. Jiří Svoboda, CSc., DSc.
Number of ProjectA1.9
AgencyMaterials Center Leoben
Duration2011-06-30 - 2014-06-29

The project deals with the influence of the atomic traps on kinetics of diffusion of interstitial components and consequences to kinetics of diffusional phase transformations. Carbon is an important interstitial component in steels and interacts with foreign atoms like chromium, to which it can be bond significantly. A number of models describing the energetics of trapping by foreign atom have been developed and the consequences of trapping on diffusion kinetics have been demonstrated. Based on the knowledge of chemical potentials of carbon obtained by CALPHAD method the models have been utilized for determination of the depth of trap for carbon due to foreign atoms of different components. A very good agreement with the open literature has been obtained.


Svoboda J., Mori G., Prethaler A., Fischer F.: Determination of trapping parameters and the chemical diffusion coefficient from hydrogen permeation experiments. Corros. Sci. 82 (2014) 93-100

Svoboda J., Fischer F.: Abnormal grain growth: a non-equilibrium thermodynamic model for multi-grain binary systems. Model. Simul. Mater. Sci. Eng. 22 (2014) 015013

Fischer F., Svoboda J.: Diffusion of elements and vacancies in multi-component systems. Prog. Mater. Sci. 60 (2014) 338-367

Fischer F., Svoboda J., Petryk H.: Thermodynamic extremal principles for irreversible processes in materials science. Acta Mater. 67 (2014) 1-20


Svoboda J., Shan Y., Kozeschnik E., Fischer F.: Determination of Depths of Interstitial Traps from Thermodynamic Data - A New View on Carbon Trapping and Diffusion. Model. Simul. Mater. Sci. Eng. 21 (2013) 065012

Fischer F., Mori G., Svoboda J.: Modelling the Influence of Trapping on Hydrogen Permeation in Metals. Corros. Sci. 76 (2013) 382-389

Fischer F., Svoboda J., Kozeschnik E.: Interstitial Diffusion in Systems with Multiple Sorts of Traps. Model. Simul. Mater. Sci. Eng. 21 (2013) 025008

Svoboda J., Fischer F.: A New Computational Treatment of Reactive Diffusion in Binary Systems. Comp. Mater. Sci. 78 (2013) 39-46