Bengt Hallstedt , Mehdi Noori , Fabian Kies , Felix Oppermann , Christian Haase
{"title":"Thermodynamic database for multi-principal element alloys within the system Al–Co–Cr–Fe–Mn–Ni–C","authors":"Bengt Hallstedt , Mehdi Noori , Fabian Kies , Felix Oppermann , Christian Haase","doi":"10.1016/j.calphad.2023.102644","DOIUrl":null,"url":null,"abstract":"<div><p>The development of multi-principal element alloys requires the navigation within a multi-dimensional composition space, which has proven to be challenging. Various methods to predict the state of an alloy, in particular if it is single-phase or not, have been tested with various success. The only approach that can consistently predict the constitution of an alloy, e.g. single-phase, multi-phase, intermetallics, is thermodynamic calculations using Calphad databases. Conventional Calphad databases, such as steel or Ni-base, are of limited use since they are developed for alloys with a specific base element. More suitable databases, such as TCHEA, have been developed, but their development is challenging since they require the inclusion of more subsystems than conventional databases. The predictive capability depends strongly on which elements are considered, and their development is still ongoing. A Calphad database including the elements Al, Co, Cr, Fe, Mn, Ni and C was built up from scratch using mostly assessments of binary and ternary systems from the literature, but with many amendments. This database covers a substantial fraction of the alloys investigated until now plus the element C that is usually not included, but can provide additional strengthening, either in solution or in the form of carbides.</p></div>","PeriodicalId":9436,"journal":{"name":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","volume":null,"pages":null},"PeriodicalIF":1.9000,"publicationDate":"2023-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0364591623001165","RegionNum":3,"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
The development of multi-principal element alloys requires the navigation within a multi-dimensional composition space, which has proven to be challenging. Various methods to predict the state of an alloy, in particular if it is single-phase or not, have been tested with various success. The only approach that can consistently predict the constitution of an alloy, e.g. single-phase, multi-phase, intermetallics, is thermodynamic calculations using Calphad databases. Conventional Calphad databases, such as steel or Ni-base, are of limited use since they are developed for alloys with a specific base element. More suitable databases, such as TCHEA, have been developed, but their development is challenging since they require the inclusion of more subsystems than conventional databases. The predictive capability depends strongly on which elements are considered, and their development is still ongoing. A Calphad database including the elements Al, Co, Cr, Fe, Mn, Ni and C was built up from scratch using mostly assessments of binary and ternary systems from the literature, but with many amendments. This database covers a substantial fraction of the alloys investigated until now plus the element C that is usually not included, but can provide additional strengthening, either in solution or in the form of carbides.
期刊介绍:
The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.