Thermodynamic assessment of the Cu–Dy binary system

The Cu–Dy binary system has been thermodynamically assessed with CALPHAD approach. The solution phases including liquid, Bcc, Fcc and Hcp were treated as substitutional solution phases, of which the excess Gibbs energies were formulated with Redlich–Kister polynomial functions. The binary intermetallic compounds were treated as stoichiometric phases. A set of self-consistent thermodynamic parameters for describing various phases in this system has been obtained, which can well reproduce the corresponding experimental data.     

热力学优化Bi-Ni二元系

基于文献报导的实验数据,采用相图计算（CALPHAD）方法,热力学优化了Bi-Ni二元系相图。该二元系的液相、fcc_A1（Ni）相和rhombohedral_A7（Bi）相用替换溶液模型来描述,其过剩吉布斯自由能用Redlich-Kister多项式来表达。考虑到晶体结构（NiAs型）以及与多组元体系热力学数据库的兼容性,中间化合物BiNi相采用亚点阵模型：（Bi）（Ni,Va）（Ni,Va）;Bi3Ni相处理为化学计量比化合物。最后,通过优化该二元系实测的相图和热力学数据,获得一组能够表达各相吉布斯自由能的自洽的热力学参数。根据这些热力学参数计算的相图和热力学数据与报导的实验数据吻合良好。     

A thermodynamic analysis of the Al-Re system

Phase equilibria and thermodynamic data of the Al-Re system are critically reviewed. In addition to the three solution phases, liquid, fcc Al, and hcp Re, there exist six intermetallic compounds in this binary. The thermodynamic properties of the system are analyzed using thermodynamic models for the Gibbs energy of individual phases of the system. A regular solution model is used for the three substitutional solution phases, and the intermetallic phases are treated as stoichiometric compounds. The model parameters are optimized from a limited amount of experimental data. The calculated phase diagram and thermodynamic values are in accord with the available experimental values.     

First-Principle Calculation Assisted Thermodynamic Assessment of the Pt-Pb System

Thermodynamic assessment of the Pt-Pb binary system has been performed by combining first-principle calculations with the CALPHAD method. The formation enthalpies of the Pt₃Pb and PtPb₄ were calculated by using the projector-augmented-wave (PAW) method within the generalized gradient approximation (GGA). The CALPHAD assessment of the Pt-Pb system was then performed. The solution phases (liquid and fcc) were treated as substitutional solutions, the excess Gibbs energies of which were modeled using the Redlich-Kister polynomial. The three intermetallic compounds, Pt₃Pb, PtPb, and PtPb₄, were described as stoichiometric phases. Thermodynamic parameters of all the phases were optimized, which reproduces the most experimental data.     

A new thermodynamic description of the Cu-Zr system

An optimized set of thermodynamic functions for the Cu-Zr system was obtained by the least squares method from phase diagram and thermodynamic data available in the literature. The excess Gibbs energies of the solution phases, liquid, and three terminal solid solutions, were described by the Redlich-Kister formula. All the intermediate compounds were treated as stoichiometric phases. The calculated phase diagram, as well as the thermodynamic properties vs compositions, agree well with the experimental values. The reliability of the optimized parameters was examined using μ-T plots.     

Physico-chemistry in distillation process of BiCl3-HCl-H2O system

1　ＩＮＴＲＯＤＵＣＴＩＯＮＣｈｌｏｒｉｎａｔｉｏｎ ｄｒｙｄｉｓｔｉｌｌａｔｉｏｎｍｅｔｈｏｄｉｓａｎｅｆｆｅｃ ｔｉｖｅｗａｙｔｏ ｐｕｒｉｆｙａｎｄｅｘｔｒａｃｔｂｉｓｍｕｔｈｃｏｍｐｏｕｎｄｓｆｒｏｍｔｈｅｃｏｍｐｌｅｘｂｉｓｍｕｔｈｍａｓｓ ,ｂｙｗｈｉｃｈｐｕｒｅｃｈｌｏ ｒｉｎａｔｉｏｎ ｂｉｓｍｕｔｈｐｒｏｄｕｃｔｓａｎｄｈｉｇｈｍｅｔａｌｒｅｃｏｖｅｒｙｒａ ｔｉｏｃａｎｂｅｇａｉｎｅｄ ,ｅｎｖｉｒｏｎｍｅｎｔａｌｐｏｌｌｕｔｉｏｎｂｙｈａｒｍｆｕｌｅｌｅｍｅｎｔｓｃａｎｂｅｐｒｅｖｅ…     

Formation of Al2Ca Phase in as-Extruded X20 Magnesium Alloy by Solution Treatment

对Ca含量为2wt%的挤压态X20镁合金在410 ℃固溶处理20 h,采用光学显微镜 (OM)、扫描电镜 (SEM) 结合能谱分析 (EDS)以及透射电镜 (TEM) 对固溶处理前后的组织进行了表征,利用XRD衍射仪考察了固溶处理前后合金的相组成。结果表明,经固溶处理后,合金初始组织中β-Mg17Al12相的数量明显减少,同时析出新相Al2Ca。Al2Ca的形成可归结于残余β-Mg17Al12中高的Ca原子所造成的Mg原子被Ca原子取代,同时Al2Ca相自身高的结构稳定性也是其在Mg-Ca和Al-Ca系竞争析出中胜出的原因。     

Thermodynamic assessment of the Cu-In binary system

On the basis of thermodynamic properties and phase diagram data, the Cu-In binary system was thermodynamically assessed. The phases in this system were modeled using the Redlich-Kister expression for the Gibbs energies of the solution phases, adopting three-sublattice models for γ and η′, and assuming stoichiometric compounds for other intermetallic phases. Then a set of consistent parameters was obtained by the CALPHAD method, by which reasonable agreement can be realized between the thermodynamic properties for various phases and phase relations of this system.     

Thermodynamic assessment of the Cu-In binary system

On the basis of thermodynamic properties and phase diagram data, the Cu-In binary system was thermodynamically assessed. The phases in this system were modeled using the Redlich-Kister expression for the Gibbs energies of the solution phases, adopting three-sublattice models for γ and η′, and assuming stoichiometric compounds for other intermetallic phases. Then a set of consistent parameters was obtained by the CALPHAD method, by which reasonable agreement can be realized between the thermodynamic properties for various phases and phase relations of this system.     

Thermodynamic assessment of the Ni-Sb binary system

The Ni-Sb binary alloy system was thermodynamically assessed using CALPHAD approach in this article.Excess Gibbs energies of solution phases,liquid and fcc phases,were formulated using the Redlich-Kister expression.The intermediate phases were modeled by the sublattice model with (Ni,Va)0.5(Ni,Sb)0.25(Ni)0.25 for Ni3Sb_HT phase and (Ni,Va)0.3333(Sb)0.3333(Ni,Va)0.3333 for NiSb phase.The other phases including Ni3Sb,Ni7Sb3,and NiSb2 were treated as stoichiometric compound owing to their narrow composition ranges.Based on the reported thermodynamic properties and phase diagram data,the thermodynamic parameters of these phases were optimized,and the obtained values can reproduce the available experimental data well.     

Thermodynamic database of the phase diagrams in the Mg-Al-Zn-Y-Ce system

The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design Mg alloys using the calculation of phase diagrams （CALPHAD） method, where the Gibbs energies of solution phases such as liquid, fcc, bcc, and hcp phases were described by the subregular solution model, whereas those of all the compounds were described by the sublattice model. The thermodynamic parameters describing Gibbs energies of the different phases in this database were evaluated by fitting the experimental data for phase equilibria and thermodynamic properties. On the basis of this database, a lot of information concerning stable and metastable phase equilibria of isothermal and vertical sections, molar fractions of constituent phases, the liquidus projection, etc., can be predicted. This database is expected to play an important role in the design of Mg alloys.     

Thermodynamic assessment of the Mo-Zr system

The Mo-Zr system was critically assessed using the calculation of phase diagrams (CALPHAD) technique. The solution phases (liquid, bcc, and cph) were modeled with the Redlich-Kister expression for the excess Gibbs energy. The intermetallic Mo₂Zr Laves phase, which has a measurable homogeneity range, was treated by a two-sublattice model with Mo and Zr on both sublattices. A set of self-consistent thermodynamic parameters for the Mo-Zr system was obtained. With the optimized functions for the Gibbs energy of the individual phases, most of the experimental information can be well reproduced.     

Thermodynamic assessment of the Mo-Zr system

The Mo-Zr system was critically assessed using the calculation of phase diagrams (CALPHAD) technique. The solution phases (liquid, bcc, and cph) were modeled with the Redlich-Kister expression for the excess Gibbs energy. The intermetallic Mo₂Zr Laves phase, which has a measurable homogeneity range, was treated by a two-sublattice model with Mo and Zr on both sublattices. A set of self-consistent thermodynamic parameters for the Mo-Zr system was obtained. With the optimized functions for the Gibbs energy of the individual phases, most of the experimental information can be well reproduced.