Experimental Investigation and Thermodynamic Calculation of Phase Equilibria in the Mg-Pb-Sn Ternary System

The phase equilibria of the Mg-Pb-Sn ternary system were investigated using a combined method of electron probe microanalyzer and x-ray diffraction. Three isothermal sections of the Mg-Pb-Sn ternary system at 200, 300 and 400 °C were experimentally established. The phase equilibria of Mg-Pb-Sn ternary system were thermodynamically assessed by using CALPHAD (Calculation of Phase Diagrams) method on the basis of the presently determined experimental data. A consistent set of thermodynamic parameters has been derived for describing the Gibbs free energies of each solution phase and intermetallic compound in the Mg-Pb-Sn ternary system. The calculated phase diagrams and thermodynamic properties in the Mg-Pb-Sn ternary system are in good agreement with experimental data.     

Al-Si-Fe三元系热力学计算与评估

利用Calphad技术和应用Pandat相图计算软件,重新评估了Al-Si-Fe体系液相投影图,550、727、800℃等温截面,以及不同成分合金在1 477℃时的液相混合焓。结果表明,计算所得相图及液相混合焓与实验数据相符,该工作建立的热力学模型及参数可作为外推建立Al-Zn-Si-Fe等高元体系数据库的基础,并对相关体系的材料设计工作具有重要的指导意义。     

Thermodynamic and Experimental Study of the Mg-Sn-Ag-In Quaternary System

Phase equilibria in the Mg-rich region of the Mg-Sn-Ag ternary system were determined by quenching experiments, differential scanning calorimetry, electron probe micro-analysis, and X-ray diffraction techniques. No ternary compounds were found in the studied isothermal sections. A critical evaluation of the available experimental data and a thermodynamic optimization of the Mg-Sn-Ag-In quaternary system were carried out using the calculation of phase diagrams method. The modified quasichemical model in the pair approximation was used for the liquid solution, which exhibits a high degree of short-range order. The solid phases were modeled with the compound energy formalism. All available and reliable experimental data were reproduced within experimental error limits. A self-consistent thermodynamic database was constructed for the Mg-Sn-Ag-In quaternary system, which can be used as a guide for Mg-based alloys development.     

Experimental investigation and thermodynamic description of the In–Sb–Sn ternary system

Phase equilibria in the In–Sb–Sn ternary system have been studied experimentally and calculated by the CALPHAD method. Solubility of indium in the SbSn phase was experimentally established. Our own SEM–EDX results were used together with the literature data for thermodynamic modeling of the Gibbs energy of the SbSn intermediate phase. Optimized phase diagrams of the isothermal sections at 100 °C and 300 °C were compared with the experimental results from this work and literature. Three calculated vertical sections were compared with the DTA results from this work and with available thermal analysis data reported in the literature. Some calculated thermodynamic functions are compared with experimental values reported in the literature. Reasonable agreement between calculations and experimental data was observed in all cases.     

The ternary Gd-Li-Mg system: Phase diagram study and computational evaluation

The binary Gd-Li and the ternary Gd-Li-Mg systems were studied experimentally by thermal analysis and phase equilibration and also by thermodynamic calculations using the CALPHAD method. Ternary phase equilibria at 250 °C were studied with 55 different alloys that were annealed for 400 h and analyzed by x-ray diffractometry. A thermodynamic assessment of the binary Gd-Li system was also performed and the calculated phase diagram is presented. In the Gd-Li-Mg system, ternary solubilities of Li in GdMg (up to 5 at.% Li), GdMg₂ (up to approximately 3 at.% Li), and GdMg₃ (up to 5 at.% Li) were found at 250 °C. No ternary compound was observed. Lattice parameters for different compositions are given for these phases. Thermal analysis using a ternary key sample of composition near the invariant reaction L′=L+(βGd)+GdMg provided the data that were needed to determine a thermodynamic parameter for the ternary liquid. Thermodynamic data sets for the ternary solid solution phases were also developed. Based on the present data sets and those of the binary Gd-Mg and Li-Mg systems from the literature, the phase equilibria in the entire ternary system were calculated. Isothermal and vertical sections of the phase diagram and the projection of the liquidus surface are shown. These calculated phase diagrams are well supported by the experimental data.     

The ternary Gd-Li-Mg system: Phase diagram study and computational evaluation

The binary Gd-Li and the ternary Gd-Li-Mg systems were studied experimentally by thermal analysis and phase equilibration and also by thermodynamic calculations using the CALPHAD method. Ternary phase equilibria at 250 °C were studied with 55 different alloys that were annealed for 400 h and analyzed by x-ray diffractometry. A thermodynamic assessment of the binary Gd-Li system was also performed and the calculated phase diagram is presented. In the Gd-Li-Mg system, ternary solubilities of Li in GdMg (up to 5 at.% Li), GdMg₂ (up to approximately 3 at.% Li), and GdMg₃ (up to 5 at.% Li) were found at 250 °C. No ternary compound was observed. Lattice parameters for different compositions are given for these phases. Thermal analysis using a ternary key sample of composition near the invariant reaction L′=L+(βGd)+GdMg provided the data that were needed to determine a thermodynamic parameter for the ternary liquid. Thermodynamic data sets for the ternary solid solution phases were also developed. Based on the present data sets and those of the binary Gd-Mg and Li-Mg systems from the literature, the phase equilibria in the entire ternary system were calculated. Isothermal and vertical sections of the phase diagram and the projection of the liquidus surface are shown. These calculated phase diagrams are well supported by the experimental data.     

A thermodynamic assessment of the In-As-Sb system

The experimental thermodynamic and phase diagram data of the In-As-Sb ternary system have been critically assessed. With the assessed thermodynamic parameters, the pseudobinary InAs-InSb phase diagram, the isothermal ternary sections and the thermodynamic properties are calculated and compared with the related experimental data.     

Mo-RE二元合金相图的热力学数据库

利用CALPHAD方法,选择和建立合理的热力学模型,并结合相平衡及热力学性质的相关实验信息,对Mo-RE (RE: Ce, Pr, Nd, Sm, Eu, Tb, Ho, Er, Tm, Yb, Lu)各二元系相图进行了热力学优化与计算。其中,液相和端际固溶体相的Gibbs自由能采用亚正规溶体模型描述,气相的Gibbs自由能采用理想气体模型描述。计算结果与实验数据取得了良好的一致性,最终得到了一组自洽的合理描述Mo-RE二元系各相自由能的热力学参数,建立了Mo-RE (RE: Ce, Pr, Nd, Sm, Eu, Tb, Ho, Er, Tm, Yb, Lu)二元合金相图的热力学数据库。该热力学数据库可以提供相平衡及热力学性质等多种信息,为外推计算三元以及更多组元体系的相平衡提供理论基础,并为相关体系的合金设计及制备提供重要的理论指导。     

Thermodynamic calculation of phase diagrams of the 60 common-ion ternary systems containing cations Li,Na, K,Rb, Cs and anions F,Cl, Br,I

The phase diagrams of all 60 possible common-ion ternary alkali halide systems were calculated thermodynamically. The thermodynamic properties of the ternary phases were calculated from the optimized properties of the binary subsystems, which were obtained from previously reported critical evaluations of binary data. Calculated ternary phase diagrams are compared with experimental diagrams in those 47 systems for which the latter are available. In most cases, agreement is within experimental error limits. For five systems, a small empirical correction term was added to the Gibbs energy expression in order to bring the calculated and reported diagrams into coincidence. The calculated ternary diagrams are considered to be the best evaluated diagrams that can be deduced from currently available data. A probable maximum inaccuracy was estimated for each system.