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The Cu-Cr-Zr ternary system was investigated via thermodynamic modeling coupled with key experiments. The isothermal section of the Cu-Cr-Zr system at 1123K was determined by means of optical microscopy, X-ray diffraction and electron probe microanalysis, and the phase transformation temperatures were measured by differential scanning calorimetry. The Cu-Cr sub-binary system was re-assessed with a...
The isothermal section of the Mo–Ni–Zr system at 1100°C was investigated by characterization of eight equilibrium alloys. X-ray diffraction (XRD) and electron probe microanalysis (EPMA) were used to identify the stable phases and obtain their compositions. The Mo–Ni–Zr system was then optimized by means of CALPHAD (CALculation of PHAse Diagrams) technique with the consideration of experimental data...
Based on critical evaluation of the literature data, the C–Cr–Nb system has been reviewed and assessed by means of the CALPHAD technique. A reassessment of the Cr–Nb system was conducted in order to better reproduce the invariant reactions in the C–Cr–Nb system. A set of self-consistent thermodynamic parameters for the Gibbs energies of individual phases in the C–Cr–Nb system was then obtained by...
Based on a critical evaluation of the literature data, the C–Hf–Ta ternary system has been assessed by means of the CALPHAD technique. There is no ternary compound in this system. The individual solution phases, i.e., liquid, fcc, hcp and bcc have been modeled. The modeling covers the whole composition and temperature ranges. The C–Hf and C–Ta systems are remodeled and combined with the description...
The C–Nb–Mo system was assessed by means of the CALPHAD (CALculation of PHAse Diagram) approach. All of the experimental phase diagram data available from the literature were critically reviewed, and the solution phases including liquid, fcc, hcp, bcc and (η) were described by substitutional solution model or sublattice model. The modeling of this system covers the whole composition range and wide...
Based on critical evaluation of the experimental phase diagram data of the Co3Cr3Ti ternary system, a thermodynamic modeling of this ternary system over the whole composition and temperature range was conducted by using the CALPHAD technique. One single function was used to describe the Gibbs energies of both ordered and disordered phases, including L12/fcc_A1 and B2/bcc_A2. A set of self-consistent...
Based on experimental thermodynamic and phase equilibrium data, the Hf–Sn and Sn–Y systems have been modeled by computational thermodynamics using the CALPHAD method. The enthalpies of formation (Δ f H) for Hf 5 Sn 3 , Hf 5 Sn 4 and HfSn 2 (−36.95, −38.79 and −27.96kJ/mol-atom, respectively) obtained via first-principles calculations were used in the...
Based on critically reviewed experimental diffusion data available in the literature, atomic mobilities of Fe, Si, Cu and Zn in bcc_A2 Fe–Cu, Fe–Si and Fe–Zn alloys were assessed as a function of temperature and composition by means of DICTRA simulation package. Semi-empirical correlations were used to obtain the self-diffusivities of Cu, Si and Zn in the metastable bcc_A2 phase. Comprehensive comparisons...
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