A critical thermodynamic assessment of the Mg–Ni, Ni–Y binary and Mg–Ni–Y ternary systems

A thorough review and critical evaluation of phase equilibria and thermodynamic data for the phases in the Mg–Ni–Y ternary system have been carried out over the entire composition range from room temperature to above the liquidus. This system is being modeled for the first time using the modified quasichemical model which considers the presence of short range ordering in the liquid. The Gibbs energies of the different phases have been modeled, and optimized model parameters that reproduce all the experimental data simultaneously within experimental error limits have been obtained. For the liquid phases, the modified quasichemical model is applied. A sublattice model within the compound-energy formalism is used to take proper account of the structures of the binary intermediate solid solutions. The Mg–Ni and Ni–Y binary systems have been re-optimized based on the experimental phase equilibrium and thermodynamic data available in the literature. The optimized thermodynamic parameters for the Mg–Y system are taken from the previous thermodynamic assessment of the Mg–Cu–Y system by the same authors. The constructed database has been used to calculate liquidus projection, isothermal and vertical sections which are compared with the available experimental information on this system. The current calculations are in a good agreement with the experimental data reported in the literature.     

Thermodynamic assessment of the Au–Ni system

The phase diagram and thermodynamic properties of the Au–Ni system have been assessed from experimental thermodynamic and phase diagram data by means of the CALPHAD method. A consistent set of thermodynamic parameters for each phase was obtained. Good agreement is reached between the calculated and experimental results. The calculated congruent point is 1214.3 K and 42.6 at.% Ni and the critical point of the miscibility gap is 1089.5 K and 73.0 at.% Ni.     

Thermodynamic modeling of the ternary Ce–Fe–Sb system: Assessment of the Ce–Sb and Ce–Fe systems

The two Ce–Sb and Ce–Fe binary systems have been evaluated using the calculation of phase diagram method (CALPHAD). All of the binary compounds are treated as stoichiometric compounds. Solution phases are described with an ordinary substitutional solution model. The model parameters were derived from an optimization procedure using all available experimental data. The reproduction of the thermochemical and phase diagram information is reported in a series of figures and tables.     

A thermodynamic reassessment of the Ca–Pb system

New experimental measurements of the mixing enthalpy of the liquid phase and the enthalpies of formation of the intermetallic compounds along with the data already taken into account in previous thermodynamic assessments have been used in a reassessment of the thermodynamic parameters of the Ca–Pb system. The calculations based on the thermodynamic modelling are in good agreement with the phase diagram data and experimental thermodynamic values.     

Thermodynamic assessment of the Pt–Si binary system

The Pt–Si binary system was thermodynamically assessed using the CALPHAD method based on the available experimental data from the literature. The solution phases, including Liquid, Fcc_A1 (Pt) and Diamond_A4 (Si), were treated as substitutional solution phases, of which the excess Gibbs energies were expressed with Redlich–Kister polynomial functions. Meanwhile, the intermetallic compounds, PtSi, Pt₆Si₅, Pt₂Si, Pt₁₇Si₈, Pt₅Si₂, Pt₃Si and Pt₂₅Si₇, were modeled as stoichiometric compounds. Subsequently, a set of self-consistent thermodynamic parameters formulating the Gibbs energies of various phases were obtained and the calculated values of phase diagram and thermodynamics were found to be in reasonable agreement with experimental data.     

Experimental investigation and thermodynamic assessment of phase equilibria in the Cr-Re-Ru ternary system

The phase equilibria of the Cr-Re-Ru ternary system at 1100 °C and 1200 °C have been experimentally investigated using electron probe microanalyzer and X-ray diffraction. The σ₁-Cr₂Re₃ and σ₂-Cr₂Ru phases with the same D8_b crystal structure do not form a continuous intermetallic compound phase at 1100 °C and 1200 °C in the Cr-Re-Ru ternary system confirmed by experimental results. According to the experimental results in this work, the Cr-Re-Ru ternary system has been assessed by means of the CALPHAD (CALculation of PHAse Diagrams) method. The calculated isothermal section at 1400 °C shows that the two independent phases σ₁-Cr₂Re₃ and σ₂-Cr₂Ru are replaced by the continuous intermetallic compound σ. The current established thermodynamic database of the Cr-Re-Ru ternary system may provide the essential information, and support for the thermodynamic assessment of multicomponent system and the development of Ni-based superalloys.     

Solid–liquid equilibria in the quasi-binary thallium(I) telluride–indium(III) telluride system

The quasi-binary Tl₂Te–In₂Te₃ phase diagram has been constructed based on the results of studies by both thermal analysis and X-ray diffraction. Our earlier data obtained through electrochemical investigation of this system were of aid for the final establishment of the phase diagram. Numerical values of the phase transition temperatures at different alloy compositions have been presented in a table. The diagram has been compared with that published earlier by other authors. The study has produced substantial evidence corroborating the formation of two new chemical compounds that have not been found earlier.     

A thermodynamic reassessment of the La–Sn system

Thermodynamic modelling of the La–Sn binary system was carried out with the help of the CALPHAD (CALculation of PHAse Diagram) method. The liquid phase has been described with the association solution model with a ‘ La₁Sn₁’ associated complex. The intermetallic compounds were treated as stoichiometric phases. The calculated phase diagram and the thermodynamic properties of the system are in satisfactory agreement with the majority of the experimental data.     

Thermodynamic description of the Pb–Yb binary system

Thermodynamic modelling of the Pb–Yb binary system was carried out with the help of the CALPHAD method. The liquid phase has been described with the association solution model with ‘ Pb₁Y b₂’ as an associated complex. The solution phases BCC_A2 and FCC_A1 were modelled with the sublattice formalism. The αPbYb_LT and βPbYb_HT Pb sub-stoichiometric intermetallic compounds, which have a homogeneity range, were treated with the formula (Pb,Y b)_0.5(Y b)_0.5 by a two-sublattice model with Pb and Yb on the first sublattice and Yb on the second one. Pb₃Y b, Pb₃Y b₅ and PbY b₂ have been treated as stoichiometric compounds. The calculations based on the thermodynamic modelling are in good agreement with the phase diagram data and experimental thermodynamic values.     

Measurement of phase equilibria in Zr-Ni-Sc ternary system

Phase relations in Zr-Ni-Sc ternary system were investigated experimentally through alloy sampling approach. Isothermal sections at 973, 1173, and 1273 K were constructed from the results of electron probe microanalysis (EPMA) and X-ray diffraction (XRD). No ternary phase has been detected in all these sections. Combining experiment and reasonable speculation, 12, 15 and 13 three-phase zones were obtained at 973, 1173 and 1273 K, respectively. Liquid region with a large composition range at 1273 K was found although its real boundary was estimated. The intermetallic compounds, Ni₂Sc, NiSc and NiSc₂, exhibit remarkable ternary solubility of Zr along the isoconcentration of Ni.     

Thermodynamic modeling of the Sn–V binary system

The Sn–V binary system was thermodynamically modeled using the CALPHAD approach combined with first-principles calculations. The predicted Gibbs free energy of the end-members in sublattice models of “ V ₃Sn” phase by the first-principles calculations was used to describe the lattice stabilities. A set of thermodynamic parameters for the Sn–V system was obtained using the PanOptimizer program in Pandat software. The calculated phase diagram and thermodynamic properties agree well with the reported experimental data.