The CALPHAD thermodynamic databases are very useful to analyze the complex chemical reactions happening in high temperature material process.The FactSage thermodynamic database can be used to calculate complex phase d...The CALPHAD thermodynamic databases are very useful to analyze the complex chemical reactions happening in high temperature material process.The FactSage thermodynamic database can be used to calculate complex phase diagrams and equilibrium phases involving refractories in industrial process.In this study,the FactSage thermodynamic database relevant to ZrO_(2)-based refractories was reviewed and the application of the database to understanding the corrosion of continuous casting nozzle refractories in steelmaking was presented.展开更多
An overview about one thermodynamic database of multi-component Mg alloys is given in this work.This thermodynamic database includes thermodynamic descriptions for 145 binary systems and 48 ternary systems in 23-compo...An overview about one thermodynamic database of multi-component Mg alloys is given in this work.This thermodynamic database includes thermodynamic descriptions for 145 binary systems and 48 ternary systems in 23-component(Mg–Ag–Al–Ca–Ce–Cu–Fe–Gd–K–La–Li–Mn–Na–Nd–Ni–Pr–Si–Sn–Sr–Th–Y–Zn–Zr)system.First,the major computational and experimental tools to establish the thermodynamic database of Mg alloys are briefly described.Subsequently,among the investigated binary and ternary systems,representative binary and ternary systems are shown to demonstrate the major feature of the database.Finally,application of the thermodynamic database to solidification simulation and selection of heat treatment schedule is described.展开更多
The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design...The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design Mg alloys using the calculation of phase diagrams (CALPHAD) method, where the Gibbs energies of solution phases such as liquid, fcc, bcc, and hcp phases were described by the subregular solution model, whereas those of all the compounds were described by the sublattice model. The thermodynamic parameters describing Gibbs energies of the different phases in this database were evaluated by fitting the experimental data for phase equilibria and thermodynamic properties. On the basis of this database, a lot of information concerning stable and metastable phase equilibria of isothermal and vertical sections, molar fractions of constituent phases, the liquidus projection, etc., can be predicted. This database is expected to play an important role in the design of Mg alloys.展开更多
Thermodynamic databases are very useful to analyze the complex chemical reactions happening in high temperature material processes. An accurate thermodynamic database based on physically sound thermodynamic models can...Thermodynamic databases are very useful to analyze the complex chemical reactions happening in high temperature material processes. An accurate thermodynamic database based on physically sound thermodynamic models can provide thermodynamic calculations of useful phase diagrams and comprehensive chemical reactions related to refractory corrosion in steelmaking processes. In this study,the FactS age thermodynamic database,one of the most comprehensive thermodynamic databases for oxide systems among other commercial software,is reviewed in particular for the steelmaking refractory research,and several applications to refractory corrosion are presented.展开更多
基金Tata Steel Netherlands,Posco,Hyundai Steel,Nucor Steel,RioTinto,Nippon Steel Corp.,JFE Steel,Voestalpine,RHi-Magnesita,Doosan Enerbility,Seah Besteel,Umicore,Vesuvius and Schott AG are gratefully acknowledged.
文摘The CALPHAD thermodynamic databases are very useful to analyze the complex chemical reactions happening in high temperature material process.The FactSage thermodynamic database can be used to calculate complex phase diagrams and equilibrium phases involving refractories in industrial process.In this study,the FactSage thermodynamic database relevant to ZrO_(2)-based refractories was reviewed and the application of the database to understanding the corrosion of continuous casting nozzle refractories in steelmaking was presented.
基金the National Key Research and Development Program of China(No.2016YFB0301101)the project of Innovation-driven plan in Central South University(No.2015CX004)Thermo_calc AB,and National Nature Science Fundation of China(No.50731002).
文摘An overview about one thermodynamic database of multi-component Mg alloys is given in this work.This thermodynamic database includes thermodynamic descriptions for 145 binary systems and 48 ternary systems in 23-component(Mg–Ag–Al–Ca–Ce–Cu–Fe–Gd–K–La–Li–Mn–Na–Nd–Ni–Pr–Si–Sn–Sr–Th–Y–Zn–Zr)system.First,the major computational and experimental tools to establish the thermodynamic database of Mg alloys are briefly described.Subsequently,among the investigated binary and ternary systems,representative binary and ternary systems are shown to demonstrate the major feature of the database.Finally,application of the thermodynamic database to solidification simulation and selection of heat treatment schedule is described.
基金This study was financially supported by the National Natural Science Foundation of China and Chongqing Science and Technology Commission.
文摘The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design Mg alloys using the calculation of phase diagrams (CALPHAD) method, where the Gibbs energies of solution phases such as liquid, fcc, bcc, and hcp phases were described by the subregular solution model, whereas those of all the compounds were described by the sublattice model. The thermodynamic parameters describing Gibbs energies of the different phases in this database were evaluated by fitting the experimental data for phase equilibria and thermodynamic properties. On the basis of this database, a lot of information concerning stable and metastable phase equilibria of isothermal and vertical sections, molar fractions of constituent phases, the liquidus projection, etc., can be predicted. This database is expected to play an important role in the design of Mg alloys.
基金Financial supports from Tata Steel Europe,Posco,RIST, Hyundai Steel,Nucor Steel,RTIT,Nippon Steel and Sumitomo Metals Corp. ,JFE Steel,Voestalpine,RHI,and the Natural Sciences and Engineering Research Council of Canada
文摘Thermodynamic databases are very useful to analyze the complex chemical reactions happening in high temperature material processes. An accurate thermodynamic database based on physically sound thermodynamic models can provide thermodynamic calculations of useful phase diagrams and comprehensive chemical reactions related to refractory corrosion in steelmaking processes. In this study,the FactS age thermodynamic database,one of the most comprehensive thermodynamic databases for oxide systems among other commercial software,is reviewed in particular for the steelmaking refractory research,and several applications to refractory corrosion are presented.