ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Ferromagnetic ordering and mobility end-members for impurity diffusion in bcc Fe

Y. Liu, L. Zhang, Y. Du, D. Liang.

CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, Elsevier Ltd., 33, 732-736, (2009)

Based on the experimental data available in the literature, the mobility end-members for impurity diffusion of twelve elements, i.e. Ag, Al, As, Au, Cu, Mo, Nb, Sb, Sn, Ti, W and Zn, in bcc Fe have been critically studied. The effect of ferromagnetic ordering is taken into consideration, which allows the dramatic change of kinetic behaviors around the Curie temperature to be considered. Comprehensive comparisons between the calculated and experimentally measured impurity diffusion coefficients are made, where the good agreement confirms not only the parameters obtained in this work but also the model developed by Joumlnsson. This work contributes to the establishment of a general mobility database to computationally study microstructure evolution upon heat treatment and performance prediction during service.

Keyword(s): calphad; mobility; impurity diffusion; ferromagnetic ordering; dictra
DOI: 10.1016/j.calphad.2009.09.007
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