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Modeling Grain Boundary Segregation by Prediction of All Necessary Parameters

43 Pages Posted: 7 Jan 2019 First Look: Accepted

See all articles by Pavel Lejček

Pavel Lejček

Academy of Sciences of the Czech Republic - Institute of Physics

Siegfried Hofmann

Max Planck Institute for Intelligent Systems

Abstract

A thermodynamic model of equilibrium grain boundary segregation in real binary systems is proposed which is based on the prediction of all the necessary parameters. These parameters are (i) the standard enthalpy, (ii) the standard entropy of grain boundary segregation, both related to ideal behavior, as well as (iii) the Fowler binary interaction coefficient describing real contribution. Application of the model is shown in detail for the example of iron-based binary systems and the prediction is compared to data published in the literature.

Keywords: Grain boundaries, Solute segregation, Thermodynamics, Anisotropy, Iron

Suggested Citation

Lejček, Pavel and Hofmann, Siegfried, Modeling Grain Boundary Segregation by Prediction of All Necessary Parameters (January 4, 2019). Available at SSRN: https://ssrn.com/abstract=3310277

Pavel Lejček (Contact Author)

Academy of Sciences of the Czech Republic - Institute of Physics ( email )

Narodni 3, 111 42
Prague, 11720
Czech Republic

Siegfried Hofmann

Max Planck Institute for Intelligent Systems

Heisenberg Str. 3
Stuttgart 70569
Germany

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