Kattner Ursula R
Materials Science and Engineering Division, National Institute of Standards and Technology, 100 Bureau Dr. Stop 8565, Gaithersburg MD 20899, U.S.A.
Tecnol Metal Mater Min. 2016 Jan-Mar;13(1):3-15. doi: 10.4322/2176-1523.1059.
Successful design of materials and manufacturing processes requires the availability of reliable materials data. Commercial alloys usually contain a large number of elements, and the needed data for the design of new materials and processes are rarely available. The CALPHAD (CALculation of PHAse Diagrams) method enables the development of thermodynamic and property databases, that in conjunction with extrapolation methods of the descriptions of binary and ternary systems to higher-order systems, allow the calculation of data for higher-order systems. The results obtained from CALPHAD calculations have been shown to be invaluable in the design of new materials. This review presents an overview of the CALPHAD method, software tools and databases and gives examples of its application.
材料和制造工艺的成功设计需要可靠的材料数据。商业合金通常包含大量元素，而设计新材料和新工艺所需的数据却很少能获取到。相图计算（CALPHAD）方法能够开发热力学和性能数据库，该数据库结合将二元和三元系统描述外推到高阶系统的方法，可用于计算高阶系统的数据。相图计算（CALPHAD）计算得到的结果在新材料设计中已被证明具有极高价值。本综述概述了相图计算（CALPHAD）方法、软件工具和数据库，并给出了其应用示例。
