{"title":"Third Generation Calphad for Key Elements","authors":"Zhangting He, Qing Chen, Malin Selleby","doi":"10.1007/s11669-024-01166-z","DOIUrl":null,"url":null,"abstract":"<div><p>This paper presents an overview of the models we used so far for the 3rd generation Calphad descriptions of the elements. It covers both stable and metastable solid phases, as well as the liquid phase. The “evolution\" of thermodynamic descriptions of the key elements Al, C, Cr, Co, Fe, Ga, Ni, and W is discussed in detail and new assessments are conducted when deemed necessary. To support future work, we provide practical guidelines, including suggested starting values for optimising various parameters. Comprehensive thermodynamic descriptions of the elements are also included to facilitate further modelling efforts.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"1163 - 1181"},"PeriodicalIF":1.5000,"publicationDate":"2024-11-26","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/s11669-024-01166-z","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
This paper presents an overview of the models we used so far for the 3rd generation Calphad descriptions of the elements. It covers both stable and metastable solid phases, as well as the liquid phase. The “evolution" of thermodynamic descriptions of the key elements Al, C, Cr, Co, Fe, Ga, Ni, and W is discussed in detail and new assessments are conducted when deemed necessary. To support future work, we provide practical guidelines, including suggested starting values for optimising various parameters. Comprehensive thermodynamic descriptions of the elements are also included to facilitate further modelling efforts.
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.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
