Effect of concentration dependent gradient energy coefficient on spinodal decomposition in the Fe-Cr system

[Display omitted] The Cahn–Hilliard equation is solved with thermodynamic and kinetic input, using the Thermo-Calc and DICTRA software packages rather than simpler models e.g. regular solution. A concentration dependent expression for the gradient energy coefficient is introduced and its effect on s...

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Bibliographic Details
Published in:Computational materials science 2018-02, Vol.143, p.446-453
Main Authors: Barkar, Thomas, Höglund, Lars, Odqvist, Joakim, Ågren, John
Format: Article
Language:English
Subjects:
Computer simulations
Diffusion
Kinetics
Microstructure
Thermodynamic modeling
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Summary:[Display omitted] The Cahn–Hilliard equation is solved with thermodynamic and kinetic input, using the Thermo-Calc and DICTRA software packages rather than simpler models e.g. regular solution. A concentration dependent expression for the gradient energy coefficient is introduced and its effect on simulated decomposition is discussed. Simulations were carried out in 2D and 3D using the FiPy software package modified for non-linear problems.
ISSN:0927-0256
1879-0801
1879-0801
DOI:10.1016/j.commatsci.2017.11.043