The Legacy of “The Regular Solution Model for Stoichiometric Phases and Ionic Melts”Show others and affiliations
2024 (English)In: Journal of Phase Equilibria and Diffusion, ISSN 1547-7037, Vol. 45, no 6, p. 934-964, article id 212201Article, review/survey (Refereed) Published
Abstract [en]
In 1970, Hillert and Staffansson published a paper entitled “The Regular Solution Model for Stoichiometric Phases and Ionic Melts”. It was the beginning of the sublattice model that has been a key component in the development of Computational Thermodynamics. This formalism, now often called the Compound Energy Formalism (CEF), has been used to describe a great variety of phases driven by the need for accurate descriptions of thermodynamic phase stability in a wide range of materials involving many elements. The purpose of this paper is to describe the formalism, the physical meaning of its various parameters and the way they can be assessed using experimental and theoretical data. Furthermore, new developments derived from the CEF, such as the Effective Bond Energy Formalism, and other ideas for further development are presented.
Place, publisher, year, edition, pages
Springer Nature , 2024. Vol. 45, no 6, p. 934-964, article id 212201
Keywords [en]
Calphad, compound energy formalism, Gibbs energy, multicomponent, oxide systems, short range order, thermodynamic modeling
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-365849DOI: 10.1007/s11669-024-01163-2ISI: 001377531600001Scopus ID: 2-s2.0-85212056758OAI: oai:DiVA.org:kth-365849DiVA, id: diva2:1979777
Note
QC 20250701
2025-07-012025-07-012025-07-01Bibliographically approved