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Based on all the available experimental phase equilibrium and thermochemical data, the Cu–Zr system has been thermodynamically reassessed by means of the CALPHAD (CALculation of PHAse Diagrams) technique. The substitutional solution model was used to describe the liquid and three terminal solid solutions, fcc-A1(Cu), bcc-A2(βZr) and hcp-A3(αZr), and their excess Gibbs energies were formulated with...
Thermodynamic modeling and optimization of the Gd–Mg, Mg–Y, Gd–Y binary systems and the Gd–Mg–Y ternary system have been critically carried out by means of the CALPHAD (CALculation of PHAse Diagrams) technique. The solution phases (liquid, body-centered cubic, and hexagonal close-packed) are modeled with the Redlich–Kister equation. The Compound Energy Model has been used to describe the thermodynamic...
The phase transformation temperatures of the Ti–Sn system at Sn-rich portion are determined by DTA. The optimized descriptions of the phase diagram and thermodynamic properties of the Ti–Sn system have been obtained from experimental data by means of the CALPHAD technique. The system contains five intermetallic compounds from which Ti 5 Sn 3 , Ti 6 Sn 5 and Ti 2...
The eutectic temperature between the NiZr and NiZr 2 compounds was experimentally determined using Differential Scanning Calorimetry (DSC) to evaluate definitely the discrepancy among different sources. Based on the data of the literature reports and the present experiment results, the Ni–Zr binary system was re-assessed thermodynamically by means of CALPHAD (CALculation of PHAse Diagrams)...
The thermodynamic modeling and optimization of the Mg–Pr, Pr–Y binary systems and Mg–Pr–Y ternary system were critically carried out by means of the CALPHAD (CALculation of PHAse Diagram) technique. The solution phases (liquid, body-centered cubic, hexagonal close-packed and double hexagonal close-packed) were modeled with the Redlich–Kister equation. The Compound Energy Model has been used to describe...
The phase equilibria and thermodynamic properties of the Cu–Pd system are optimized using the CALPHAD (CALculation of PHAse Diagram) technique. In the present work, the liquid and face-centered cubic (fcc) solution phases are modeled with the substitutional solution model. A two-sublattice model (Cu,Pd) 0.75 (Cu,Pd) 0.25 is applied to describe the ordered Cu 3 Pd phase, the...
The Fe–Zr and Al–Fe–Zr systems were critically assessed by means of the CALPHAD technique. The solution phases, liquid, face-centered cubic, body-centered cubic and hexagonal close-packed, were described by the substitutional solution model. The compounds with homogeneity ranges, hex.- Fe 2 Zr, Fe 2 Zr, FeZr 2 and FeZr 3 in the Fe–Zr system, were described by the two-sublattice...
The 450 ∘ C isothermal section of the Al–P–Zn ternary system has been determined using optical microscopy, scanning electronic microscopy coupled with energy dispersive x-ray spectroscopy, and x-ray diffractometry. No true ternary compound was found in the present study. The optimized descriptions of the phase diagram and thermodynamic properties of the Al–P and P–Zn binary systems were obtained...
The Mg–Sm, Gd–Sm and Gd–Mg–Sm systems were thermodynamically optimized using the CALPHAD technique. The solution phases, liquid, bcc, hcp and rhombohedral, were described by the substitutional solution model. The isostructural compounds, MgGd in the Gd–Mg system and MgSm in the Mg–Sm system with a B2 structure was assumed to form a continuous range of solid solutions in the Gd–Mg–Sm system. The order–disorder...
The Al–Li–Zn system was critically assessed using the CALPHAD technique. The solution phases (liquid, bcc, fcc and hcp) were described by the substitutional solution model. The compounds Al 2 Li 3 and Al 4 Li 9 in the Al–Li system had homogeneity ranges of Zn and were treated as (Al,Zn) 2 Li 3 and (Al,Zn) 4 Li 9 in the Al–Li–Zn system,...
Among the phase diagrams of six binary systems composed of alkali metals, Sodium (Na), Potassium (K), Rubidium (Rb) and Cesium (Cs), three of them, those of the Cs–K, Cs–Rb and K–Rb systems, indicate a complete range of solid solubility, and the other three, those of the Cs–Na, K–Na and Na–Rb systems, have the eutectic type characteristic. The computational thermodynamic descriptions of the six binary...
The thermodynamic properties of the Pd–Ti system were optimized using the CALPHAD (CALculation of PHAse Diagram) technique. The solution phases, liquid, bcc, fcc and hcp, were described by the substitutional-solution model. Both compounds Pd 2 Ti and PdTi 2 with tetragonal MoSi 2 -type structure were treated as one phase with the formula (Pd,Ti) 2 (Pd,Ti) by a two-sublattice...
The thermodynamic reassessment of the Al–Mo–Si system was performed using the CALPHAD technique. The solution phases (liquid, bcc, fcc and diamond) were modeled as a substitutional solution. The compounds AlMo 3 in the Al–Mo system and Mo 3 Si in the Mo–Si system had the same A15 crystal structure, and were treated as one phase and described by a two-sublattice model (Al,Mo,Si)(Al,Mo)...
The thermodynamic optimization of the Fe–Ti–V system was carried out using the CALPHAD technique. The solution phases (liquid, bcc, fcc and hcp) were modeled as substitutional solution. The compound Fe 2 Ti with C14 structure had a solubility of 34at% V at 1273K and was described as (Fe,Ti,V) 2 (Fe,Ti,V) by a two-sublattice model in the Fe–Ti–V system. The compound FeTi with B2 crystal...
A complete thermodynamic description of the Bi–Mg–Sn ternary system was obtained by means of the CALPHAD (CALculation of PHAse Diagram) technique. The solution phases, Rhomb, Bct_A5 and Hcp_A3, are modeled with Redlich–Kister equation. The associate model has been used to describe the liquid phase with the constituents of the species Bi, Bi 2 Mg 3 , Mg, Mg 2 Sn and Sn. The...
The Gd–Pb system was critically modeled by means of the CALPHAD technique on the basis of experimental data in the literature. Given the asymmetric shape of the liquidus in the Gd–Pb phase diagram, the associate model for the liquid phase was tested and compared with the substitutional solution model. The results of the optimization show that a better agreement with the available experimental data...
The Co–Fe–Sb ternary system is critically assessed by CALPHAD (CALculation of PHAse Diagram) technique in the present work. The NiAs-type structure phase β-(Co,Fe)Sb with a wide non-stoichiometric range is described by three sublattices, (Sb)1/3(Co,Fe,Va)1/3 (Co,Fe,Va)1/3, following the extension of the sublattices of the phases β(CoSb) and β(FeSb) in the related binaries. The intermetallic compounds...
Phase equilibria of the ternary Mg–Gd–Ag system focused on Mg-rich region at 400°C and 450°C are experimentally studied through evaluation of six selected compositions under the long annealed states. Analysis techniques, such as SEM/BSE, TEM and EPMA are employed for phase identification and chemical investigation. A previously unreported ternary compound, designated as X, is detected in the microstructures...
On the basis of the experimental data of the phase equilibria and the thermochemical properties, a critical evaluation for the Ni–Sc binary system has been carried out using the CALPHAD (Calculation of Phase Diagrams) method. The associated model is used for the liquid phase containing the constituent species Ni, Sc and ScNi. The terminal solid solutions Fcc_A1 (Ni), Hcp_A3 (Sc), and Bcc_A2 (Sc) are...
The Al–B–Er ternary system was optimized by means of the CALPHAD (CALculation of PHAse Diagram) technique. The solution phases, liquid and hcp, were described by the substitutional solution model. The compounds AlB12, AlB2, B2Er, B4Er, B12Er, B66Er, AlB4Er and AlB14Er were treated as stoichiometric compounds. In the present study, in order to describe the structural relationship between the solution...
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