A self-consistent model for thermodynamics of multicomponent solid solutions. (October 2016)

• Record Type: Journal Article
• Authors: Svoboda, J.; Fischer, F.D.
• Is Part Of: Scripta materialia. Volume 123(2016)
• Page Start: 154
• Page End: 157
• Publication Date: 2016-10
• Subjects: Thermodynamics -- Bonding -- Analytical methods -- First-principle calculation -- Self-consistent model; Materials -- Periodicals; Metallurgy -- Periodicals; Metalen; Legeringen; Materiaalkunde; Metals, metalworking and machinery industries; Metals; Electronic journals; 620.11
• DOI: 10.1016/j.scriptamat.2016.05.024
• Languages: English
• ISSNs: 1359-6462

Abstract

Abstract: The self-consistent concept recently published in this journal (108, 27–30, 2015) is extended from a binary to a multicomponent system. This is possible by exploiting the trapping concept as basis for including the interaction of atoms in terms of pairs (e.g. A–A, B–B, C–C…) and couples (e.g. A–B, B–C, …) in a multicomponent system with A as solvent and B, C, … as dilute solutes. The model results in a formulation of Gibbs-energy, which can be minimized. Examples show that the couple and pair formation may influence the equilibrium Gibbs energy markedly. Graphical abstract: