(1. 廈門大學 材料學院，廈門 361005；
2. 重慶大學 材料科學與工程學院，重慶 400045；
3. 北京鋼鐵研究總院，北京 100081)
摘 要: 利用CALPHAD方法，采用亞正規(guī)溶體模型、亞點陣模型以及理想氣體模型來描述RE-X (Ag, Bi, Cr, Mn, Mo, V, Zn)中二元系各相的Gibbs自由能，并結合相平衡及熱力學性質的實驗結果，對Ag-RE (RE: Sc, Y, Nd, Sm, Gd, Tb, Ho, Er)、Bi-RE (RE: Nd, Tm, Er, Ho, Pr, Gd)、Cr-RE (RE: Ce, Nd, Sm, Lu)、Mn-RE (RE: Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb, Lu)、Mo-RE (RE: Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb, Lu)、V-RE (RE: La, Ce, Pr, Nd, Ho, Lu)和Zn-RE (RE: Y, Ce, Pr, Nd, Sm ) 各二元系相圖進行熱力學優(yōu)化與計算。計算結果與實驗數據取得很好的一致性，并結合其他相關稀土二元系相圖熱力學計算，初步建立部分稀土二元合金相圖的熱力學數據庫。該熱力學數據庫可以提供相平衡及熱力學性質等多種信息，為外推計算稀土多組元體系的相平衡提供理論基礎，并為高性能稀土合金材料的設計及制備提供重要的理論指導。
關鍵字: 稀土合金；相圖；熱力學計算
RE-X binary alloy systems
TANG Ai-tao2, ZHAO Dong-liang3
（1. College of Materials, Xiamen University, Xiamen 361005, China;
2. College of Material Science and Engineering, Chongqing University, Chongqing 400045, China;
3. Beijing General Iron and Steel Research Institute, Beijing 100081, China）
Abstract:The thermodynamic assessments of phase diagrams in the Ag-RE (RE: Sc, Y, Nd, Sm, Gd, Tb, Ho, Er), Bi-RE (RE: Nd, Tm, Er, Ho, Pr, Gd), Cr-RE (RE: Ce, Nd, Sm, Lu), Mn-RE (RE: Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb, Lu), Mo-RE (RE: Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb, Lu), V-RE (RE: La, Ce, Pr, Nd, Ho, Lu) and Zn-RE (RE: Y, Ce, Pr, Nd, Sm) binary alloy systems were carried out by using calculation of phase diagrams (CALPHAD) method on the basis of the experimental data including thermodynamic properties and phase equilibria. The Gibbs free energies of the solution phases were described by the subregular solution model with Redlich–Kister equation, and those of the intermetallic compounds and gas phase were, respectively, described by sublattice model and ideal gas model. A consistent set of thermodynamic parameters were derived to describe the Gibbs free energies of each solution phase and intermetallic compound. The calculated phase diagrams and thermodynamic properties are in good agreement with the experimental data. The primary thermodynamic database of rare earth alloys is developed, which will provide important information including phase diagrams and various thermodynamic properties for development of rare earth alloy materials.
Key words: rare earth alloys; phase diagrams; thermodynamic modeling
