A combinatorial approach for extracting thermo-kinetic parameters from diffusion profiles

A strategy for extracting thermodynamic and diffusion parameters from interdiffusion profiles is presented. The approach is based on the Darken model or its development by Manning. Diffusion profiles are calculated numerically using the Radau 5 integrator. Optimization of the parameters is performed...

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Bibliographic Details
Published in:Scripta materialia 2012-02, Vol.66 (3), p.151-154
Main Author: Kucza, Witold
Format: Article
Language:English
Subjects:
Alloys
Combinatorial analysis
Computer simulation
Diffusion
Diffusion-coefficients
Fittings
Interdiffusion
Mathematical models
Optimization
Simulation
Strategy
Thermodynamics
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Summary:A strategy for extracting thermodynamic and diffusion parameters from interdiffusion profiles is presented. The approach is based on the Darken model or its development by Manning. Diffusion profiles are calculated numerically using the Radau 5 integrator. Optimization of the parameters is performed by simultaneously fitting simulated profiles to many experimental ones, representing a whole system, using the Levenberg–Marquardt method. The approach is validated for Cu–Fe–Ni system at 1273 K.
ISSN:1359-6462
1872-8456
DOI:10.1016/j.scriptamat.2011.10.025