Modeling grain boundary segregation by prediction of all the necessary parameters. (15th May 2019)

• Record Type: Journal Article
• Authors: Lejček, Pavel; Hofmann, Siegfried
• Is Part Of: Acta materialia. Volume 170(2019)
• Page Start: 253
• Page End: 267
• Publication Date: 2019-05-15
• Subjects: Grain boundaries -- Solute segregation -- Thermodynamics -- Anisotropy -- Iron; Materials -- Periodicals; Materials science -- Periodicals; Materials -- Mechanical properties -- Periodicals; Metallurgy -- Periodicals; Chemistry, Inorganic -- Periodicals; 620.112
• DOI: 10.1016/j.actamat.2019.03.037
• Languages: English
• ISSNs: 1359-6454

Abstract

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 and (ii) the standard entropy of grain boundary segregation, both related to ideal behavior, as well as (iii) the Fowler binary interaction coefficient describing the real contribution. Application of the model is shown in detail for the example of iron-based binary systems and predictions are compared to data published in the literature. Graphical abstract: Scheme of the procedure of obtaining the parameters of grain boundary segregation.Image 1