在材料设计中的应用
(1. 厦门大学 材料学院，厦门 361005；2. 厦门大学 圣诺有色金属研究院，厦门 361005；
3. 日本东北大学 工学部 材料科学系，仙台 980−8579)
摘 要: 利用相图计算(CALPHAD)方法，采用亚规则溶体模型描述溶体相的吉布斯自由能，采用亚点阵模型描述金属间化合物和有序相的吉布斯自由能，并结合相平衡和热力学性质的实验数据，优化与计算Cu-X二元系以及Cu-Fe、Cu-Ni、Cu-Cr、Cu-Co、Cu-Mo和Cu-W基各三元系的相图，获得自洽性良好的热力学参数，并建立铜合金热力学数据库。该数据库可以提供稳定和亚稳的相图计算、相分数计算、液相面计算、热力学性质的计算等多种信息，为外推计算铜基多元合金系的相平衡提供理论基础，并为高性能铜合金材料的设计及制备提供重要的理论指导。
关键字: 铜合金；相图；热力学计算；材料设计
（1. College of Materials, Xiamen University, Xiamen 361005, China;
2. Institute of Advanced Nonferrous Metal Research, Xiamen University, Xiamen 361005, China;
2. Department of Materials Science, Graduate School of Engineering, Tohoku University,
Aoba-yama 6-6-02, Sendai 980−8579, Japan）
Abstract:A thermodynamic database on the phase equilibria of the copper base alloys, including Cu-X binary system and Cu-Fe, Cu-Ni, Cu-Cr, Cu-Co, Cu-Mo and Cu-W base ternary systems were developed by the calculation of phase diagrams (CALPHAD) method. The Gibbs free energies of the solution phases were described by subregular solution model with the Redlich-Kister equation, and the Gibbs free energies of the intermetallic compounds were described by sublattice model. The thermodynamic parameters describing the Gibbs energies of different phases were evaluated by optimizing the experimental data of phase equilibria and thermodynamic properties. The present thermodynamic database can provide much information, such as stable and metastable phase equilibria, phase fraction, liquidus projection and various thermodynamic quantities, which is expected to play an important role in the design of copper base alloys.
Key words: Cu alloys; phase diagram; thermodynamic calculation; materials design
