工業(yè)過程的設(shè)計需要可靠的熱力學數(shù)據(jù)。CALPHAD（相圖和熱化學的計算機耦合）旨在通過開發(fā)代表不同相的熱力學性質(zhì)的模型來促進計算熱力學，該模型允許從二元和三元子系統(tǒng)的熱力學性質(zhì)預(yù)測多組分系統(tǒng)的性質(zhì)，對數(shù)據(jù)及其內(nèi)部結(jié)構(gòu)進行臨界評估。將rpo轉(zhuǎn)換為自一致的數(shù)據(jù)庫，開發(fā)優(yōu)化和導出熱力學參數(shù)的軟件，開發(fā)和使用數(shù)據(jù)庫進行計算，以提高對各種工業(yè)和技術(shù)過程的理解。這項工作是通過卡爾法德期刊及其年度會議傳播的。歡迎在這些和相關(guān)領(lǐng)域，特別是第一原理計算領(lǐng)域、熱化學和相平衡數(shù)據(jù)的實驗測量、相轉(zhuǎn)換以及卡爾法德工作所基于或使用的工藝和材料設(shè)計方面做出高質(zhì)量的貢獻。

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. Contributions of high quality in these and related fields, especially the fields of first-principles calculations, experimental measurements of thermochemical and phase equilibrium data, phase transformations, and the process and materials designs that the CALPHAD works are based on or used for, are welcome.