Thermodynamic assessment of the Nd–Zn binary system

On the basis of available experimental information, the Nd–Zn binary system has been thermodynamically optimized using the CALPHAD method. The solution phases, liquid, bcc and dhcp, were treated as substitutional solutions, while the intermediate compounds, NdZn, NdZn₂, NdZn₃, Nd₃Zn₁₁, Nd₁₃Zn₅₈, Nd₃Zn₂₂, Nd₂Zn₁₇ and NdZn₁₁, were described as stoichiometric phases. A set of self-consistent parameters formulating the Gibbs energies of various phases in this binary system was obtained. Most of experimental data on thermochemistry and phase diagram reported in the literatures were satisfactorily reproduced.     

Thermodynamic modeling of the Ca–Ag binary system

The Ca–Ag binary system has been assessed with CALPHAD approach based on experiment information about phase diagram and thermodynamic properties. The excess Gibbs energies of the solution phases including liquid, bcc and fcc were formulated with Redlich–Kister polynomial functions. The intermetallic compounds Ca₂Ag₉, Ca₂Ag₇, CaAg₂, CaAg, Ca₅Ag₃ and Ca₃Ag were treated as stoichiometric phases. Self-consistent thermodynamic parameters have been obtained and the calculated results agree well with most literature data. Several diagrams and tables concerning the Ca–Ag system are presented.     

Thermodynamic modeling of the Al–Cr system

By means of calculation of phase diagram (CALPHAD) technique, the Al–Cr system was critically assessed. Three solution phases (liquid, body-centered cubic, face-centered cubic) were modeled with the Redlich–Kister equation. The intermetallic compounds Al₇Cr, Al₁₁Cr₂, Al₄Cr, Al₈Cr₅, AlCr₂, which have a homogeneity range, were treated as the formulae Al₇(Al,Cr), Al₁₁(Al,Cr)₂, Al₄(Al,Cr), (Al,Cr)₈(Al,Cr)₅, (Al,Cr)(Al,Cr)₂ using two-sublattice model, respectively. A set of self-consistent thermodynamic parameters describing the Gibbs energy of each individual phase as a function of composition and temperature for the Al–Cr system was obtained.     

Thermodynamic modeling of the Ru–Zr system

The Ru–Zr system has been critically assessed by means of the CALPHAD technique. Based on the experimental data, the solution phases (liquid, body-centered cubic, hexagonal close-packed) were initially modeled with the Redlich–Kister equation. It was shown that this model had a definite temperature range beyond which the liquid became unstable. To tackle the problem, the solution phases were modeled with a new semi-empirical equation, which was recommended by Kaptay. A two-sublattice model (Ru, Zr)_0.5(Ru, Zr)_0.5 is applied to describe the compound RuZr in order to deal with the order–disorder transition between body-centered cubic solution (A2) and RuZr with CsCl-type structure (B2). Another two-sublattice model (Ru, Zr)_0.6667(Ru, Zr)_0.3333 is applied to describe the compound Ru₂Zr in order to cope with the order–disorder transition between hexagonal close-packed (A3) and Ru₂Zr with MgZn₂-type structure (C14). A set of self-consistent thermodynamic parameters of the Ru–Zr system was obtained.     

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.     

Thermodynamic assessment of the Mo–Re binary system

The existing Mo–Re phase diagrams are reviewed and a thermodynamic calculation of the Mo–Re binary system is undertaken. The Gibbs energies are estimated for liquid, bcc (Mo), hcp (Re), σ and χ phases. The liquid, bcc (Mo) and hcp (Re) phases are described by a regular solution model, whereas the σ and χ phases are described respectively by three-sublattice models. For the σ phase, two thermodynamic models are used for calculations and the results are compared. The models take into account the crystallographic structure and similarity between the σ and χ phases. The calculated results remove the ambiguity of the existing phase diagram data and are compared with the experimental data in the literature.     

Thermodynamic assessment on the Pb–Ca–Sn ternary system

Thermodynamic modelling of the Pb–Ca–Sn ternary system was carried out with the help of the CALculation of PHase Diagrams (CALPHAD) method.The binary borders related to the ternary system were investigated. The lead–tin system is already calculated, the calcium–tin and calcium–lead systems can be described with the association model in binary liquid. The establishment of the modelling of the Pb–Ca–Sn phase diagram was done after collecting own experimental information. The introduction of new interaction parameters related to the ternary liquid, leads to an accurate restoration of the experimental data.Calculated isothermal, isoplethal sections and liquidus surfaces are presented. They confirm that the calcium solubility in lead matrix drastically decreases with the introduction of tin as well as with the decreasing of temperature. The industrial process applied to the lead–calcium–tin alloys finds some justifications in the calculated phase diagram.     

Synthesis of copper-based bulk metallic glasses in the ternary Cu–Mg–Ca system

This paper reports the discovery of novel copper-based bulk metallic glasses free of group IV transition metals (Zr, Hf and Ti) in the Ca–Cu–Mg ternary system. Alloys of compositions ranging from Cu-33–55 at.%, Mg-18–36 at.% and Ca-18–36 at.%, located far from eutectic reactions, were found to exhibit high glass-forming ability (up to 8 mm using conventional copper mold casting), high hardness (up to 328H_V) and low densities (2.9–4.0 g/cm³).     

Thermodynamic assessment of the Nb-Ge system

The Nb-Ge binary system has been thermodynamically assessed using the CALPHAD (Calculation of Phase Diagrams) approach on the basis of the experimental data of both the phase equilibria and the thermochemical properties. The reasonable models were constructed for all the phases of the system. The liquid and the terminal solid solution phases, Bcc-(Nb) and Diamond-(Ge), were described as the substitutional solutions with Redlich-Kister polynomials for the expressions of the excess Gibbs free energies. The intermediate phases (Nb₃Ge), (Nb₅Ge₃), (Nb₃Ge₂) and (NbGe₂) with homogeneity ranges were treated as the sublattice models Nb_0.75(Ge,Nb,Va)_0.25, Nb_0.5(Nb,Ge)_0.125(Ge,Va)_0.375, (Nb,Ge)_0.222(Nb,Ge)_0.333Nb_0.333(Ge,Va)_0.111 and (Nb,Ge)_0.333(Nb,Ge)_0.667 respectively based on their structure features of atom arrangements. A set of self-consistent thermodynamic parameters for the Nb-Ge system was obtained. Using the present thermodynamic data, the calculation results can reproduce the experimental data well.     

Thermodynamic optimization of the boron-cobalt-iron system

A thermodynamic optimization of the boron-cobalt-iron ternary system is performed based on thermodynamic models of the three constitutional binary systems and the experimental data on phase diagrams and thermodynamic properties of the ternary system. The liquid, fcc_A1, bcc_A2 and hcp_A3 solution phases are described by the substitutional solution model. The three intermediate line compounds, (Co,Fe)B, (Co,Fe)₂B and (Co,Fe)₃B, are described by the two sublattice model. A set of thermodynamic parameters are obtained. The calculated phase diagram and thermodynamic properties are in reasonable agreement with most of the experimental data.     

Thermodynamic assessments of the Cu–Th and Mo–Th systems

The thermodynamic assessments of the Cu–Th and Mo–Th binary systems were carried out by using Calculation of Phase Diagrams (CALPHAD) method on the basis of the experimental data including the thermodynamic properties and phase equilibria. The Gibbs free energies of the liquid, bcc, and fcc phases are described by the subregular solution model with the Redlich–Kister equation and those of the four intermetallic compounds Cu₆Th, Cu_3.6Th, Cu₂Th and CuTh₂ in the Cu–Th binary system were described by the sublattice model. A set of self-consistent thermodynamic parameters are obtained, and the calculated phase diagrams and thermodynamic properties are presented and compared with the experimental data from literatures. The calculated thermodynamic properties as well as phase diagrams are in good agreement with the experimental data.     

Prediction of the formation enthalpies of Bi–Cd–Ga–In–Pb–Sn–Zn liquid alloys by binary infinitely dilute enthalpies

The molecular interaction volume model (MIVM) is used to predict the formation enthalpies of Bi–Cd–Ga–In–Sn–Zn and Bi–Cd–Ga–In–Pb–Sn–Zn liquid alloys, using only the infinitely dilute enthalpies of binary systems and the coordination numbers of the constituent elements in liquid alloys. In addition, the infinitely dilute enthalpies of binary system were obtained by Miedema's theory without requiring experimental data. The results are compared with the experimental data and calculated values using the Hoch–Arpshofen model (HAM), the results indicate that the model is reliable as well as being convenient.