Bo Sundman, Nathalie Dupin, Marcel H. F. Sluiter, Suzana G. Fries, Christine Guéneau, Bengt Hallstedt, Ursula R. Kattner, Malin Selleby
{"title":"The Legacy of “The Regular Solution Model for Stoichiometric Phases and Ionic Melts”","authors":"Bo Sundman, Nathalie Dupin, Marcel H. F. Sluiter, Suzana G. Fries, Christine Guéneau, Bengt Hallstedt, Ursula R. Kattner, Malin Selleby","doi":"10.1007/s11669-024-01163-2","DOIUrl":null,"url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"934 - 964"},"PeriodicalIF":1.5000,"publicationDate":"2024-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Phase Equilibria and Diffusion","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1007/s11669-024-01163-2","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
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.
期刊介绍：
The most trusted journal for phase equilibria and thermodynamic research, ASM International''s Journal of Phase Equilibria and Diffusion features critical phase diagram evaluations on scientifically and industrially important alloy systems, authored by international experts.
The Journal of Phase Equilibria and Diffusion is critically reviewed and contains basic and applied research results, a survey of current literature and other pertinent articles. The journal covers the significance of diagrams as well as new research techniques, equipment, data evaluation, nomenclature, presentation and other aspects of phase diagram preparation and use.
Content includes information on phenomena such as kinetic control of equilibrium, coherency effects, impurity effects, and thermodynamic and crystallographic characteristics. The journal updates systems previously published in the Bulletin of Alloy Phase Diagrams as new data are discovered.
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