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.
工业过程的设计需要可靠的热力学数据。卡尔法（相图和热化学的计算机耦合）的目的是通过开发模型来表示各种相的热力学性质，从而促进计算热力学，这些模型允许从二元和三元子系统的性质预测多组分系统的性质，对数据进行临界评估并将其纳入自洽数据库，开发优化和导出热力学参数的软件，开发和使用计算数据库，以增进对各种工业和技术过程的了解。这项工作通过CALPHAD杂志及其年度会议传播。
Update of thermodynamic descriptions of the binary Al-Sn and ternary Mg-Al-Sn systems
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.01.005
Study of thermal stability of CoSb3 skutterudite by Knudsen effusion mass spectrometry
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.01.012
A thermodynamic description of the Co-Cr-Fe-Ni-V system for high-entropy alloy design
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.05.001
High-throughput thermodynamic computation and experimental study of solid-state phase transitions in organic multicomponent orientationally disordered phase change materials for thermal energy storage
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2018.11.005
Electronic and structural properties of low-index L12–Al3Zr surfaces by first-principle calculations
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.101645
Experimental determination and thermodynamic evaluation of low-temperature phase equilibria in the Fe–Ni binary system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101677
A general model to calculate coherent solid/solid and immiscible liquid/liquid interfacial energies
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.03.004
Thermodynamic description of the Gd2O3-Y2O3-HfO2 and La2O3-Y2O3-HfO2 systems at high temperatures
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.03.001
Experimental investigation of phase transformations in the La-Fe and La-Fe-C systems
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.04.005
Thermodynamic description of the Nd-Fe-B ternary system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.101627
Atomic mobilities and diffusivities in fcc Co–X (X = Mn, Pt and Re) alloys
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.01.003
Critical review of phase equilibria in the Ni-Si-Zn ternary system and its thermodynamic description supported by first-principles calculations
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.04.007
Thermodynamic and experimental study of cobalt-based alloys designed to contain TiC carbides
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.02.009
Precipitation kinetic model and its applications to Mg alloys
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2018.12.006
High-throughput thermodynamic screening of carbide/refractory metal cermets for ultra-high temperature applications
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.101631
Phase equilibria in LaBr3-TlBr pseudobinary system. Thermodynamic assessment of LaBr3-MBr (M = Li, Na, K, Rb, Cs, Tl) pseudobinary systems
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.03.006
Thermodynamic constitution of the Al–Cu–Ni system modeled by CALPHAD and ab initio methodology for designing high entropy alloys
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.03.011
Sublimation enthalpies of terbium and lutetium triiodides and formation enthalpies of their monomer and dimer molecules
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.01.007
Application of the modified BET model to concentrated salt solutions with relatively high water activities: Predicting solubility phase diagrams of NaCl + H2O, NaCl + LiCl + H2O, and NaCl + CaCl2 + H2O
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.101633
Thermodynamic assessment and glass forming ability prediction of the Zr-Fe-Cu system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2018.12.007
Assessments of molar volumes of Co-, Ni- and Ti- related bcc and fcc phases
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.101629
A thermodynamic assessment of the binary Fe-Mn system for the third generation of Calphad databases
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2018.11.011
Thermodynamic optimization of the Al2O3–FeO–Fe2O3–SiO2 oxide system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101680
Thermodynamic optimization of the PbO–FeO–Fe2O3–SiO2 system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101670
The theoretical and experimental study of the Sb-Sn nano-alloys
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2018.11.004
Measurement of phase equilibria in Zr-Ni-Sc ternary system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.02.002
Thermodynamic modelling of Al-B-N system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.03.008
Thermodynamic modeling of the Ni–Nb–V ternary system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101673
Experimental investigation of phase equilibria in the Tb-Si-Cr system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.03.005
Introduction to proceedings of the workshop on Knudsen Effusion Mass Spectrometry
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.01.004
Vaporization studies on sodium oxide
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.01.006
Emulation of short-range ordering within the compound energy formalism: application to the calcite-magnesite solid solution
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2018.11.012
CALPHAD-based alloy design of cast austenitic heat-resistant steels with enhanced strength at 1000 °C
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101679
Description of terminal substitutional solid solutions using the sublattice model
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101685
The influence of lattice vibrations and electronic free energy on phase stability of titanium silicides and Si solubility in hcp titanium: A DFT study
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.02.015
Composition dependent gradient energy coefficient: How the asymmetric miscibility gap affects spinodal decomposition in Ag-Cu?
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101665
Experimental investigation and thermodynamic modeling of the Fe−Si−Zr system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.04.001
Thermodynamic description of the Co–Ni–Ta system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.101649
Thermodynamics of copper-rich liquid Cu-Fe-Bi alloys determined by vapour pressure measurements
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2018.12.012
Thermodynamic modeling of the water – Nitric acid – Rare earth nitrate systems
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101683
Isothermal sections of the Co-Re-Ta phase diagram at 1200 and 1375 K
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.03.007
An updated thermodynamic description of the W-Co and W-Co-Cr systems with focus on ground state intermetallic phases
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.05.003
The Bi2Se3–Bi2Te3–BiI3 system: Synthesis and characterization of the BiTe1-xSexI solid solutions
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.101650
Study of NiAl3-Ni2Al3 nanostructure intermediate: Kinetic parameters and thermodynamic modeling
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.101632
Liquid Bi–Pb and Bi–Li alloys: Mining thermodynamic properties from ab-initio molecular dynamics calculations using thermodynamic models
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101687
Thermodynamic assessment of the Fe–Ni–Te system
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/j.calphad.2019.101672
Experimental thermodynamic investigation of the liquid Cu-Li-Sn system by Knudsen Effusion Mass Spectrometry
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.02.006
Experimental study of the Be-C phase diagram
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2018.10.004
A versatile multicomponent database for the surface tension of liquid metals
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.04.002
Identification of volatile metal hydroxides with free jet expansion sampling mass spectrometry
来源期刊：Calphad-computer Coupling of Phase Diagrams and ThermochemistryDOI：10.1016/J.CALPHAD.2019.02.005
