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This paper describes the experimental study on liquidus projection and the isothermal section at 1873K of the Nb–Si–W ternary system in the Si-rich portion. The microstructures and solidification paths of the as-cast alloys were analysed. The constituent phases and their equilibrium compositions of the as-cast+heat-treated alloys were determined. The microstructure observation, the phase identification...
The erbium–hydrogen (Er–H) binary system has been investigated experimentally. New solubility limits and extensions of the homogeneity domains have been measured, using several experimental techniques, and high purity materials. A thermodynamic assessment of the system using the Calphad method has been performed. The calculated phase diagram shows a fair agreement with the experimental data. Both...
The Mg–Mn-Ce and Mg–Mn–Zn ternary systems are modeled using the CALPHAD approach. Each constituent binary is critically reviewed in light of available experimental information. Consequently, binaries are re-optimized or directly adopted from the literature. All the binary liquids in the present optimization are modeled by the modified quasi-chemical model (MQM) while the random mixing model is used...
The thermodynamic optimization of the Sc–Sn binary system was carried out with the help of CALculation of PHAse Diagram (CALPHAD) method. Sc5Sn3, Sc6Sn5, Sc11Sn10 and ScSn2 have been treated as stoichiometric compounds while a solution model has been used for the description of the liquid, HCP_A3 (α-Sc) and BCC_A2 (β-Sc) phases. The calculations based on the thermodynamic modeling are in good agreement...
Based on three groups of Ni/Ni–9at% Ge diffusion couples, interdiffusion coefficients were determined in the face-centered (fcc_A1) Ni–Ge alloys at 1173, 1273 and 1373K by means of the Boltzmann–Matano method coupled with electronic probe microanalysis (EPMA) technique. On the basis of various critically-reviewed experimental diffusivities as well as the available thermodynamic descriptions, atomic...
The Gd–Bi and the Ho–Bi systems were thermodynamically assessed by CALPHAD (CALculaton of PHAse Diagram) approach based on the available experimental data including thermochemical properties and phase equilibria. The formation enthalpies (at 0K) of the compounds of the Gd–Bi and the Ho–Bi systems were calculated by the first-principles method and used in the present thermodynamic optimization. The...
All experimental data on phase equilibria and thermodynamic properties of the Co–Nd, Cu–Nd and Nd–Ni binary systems in literature were reviewed and critically examined. A set of optimized model parameters for all solid stoichiometric compounds and liquid phase was built to reproduce all available reliable thermodynamic properties and phase diagram data within experimental error limits. The Modified...
By using the Calculation of Phase Diagrams (CALPHAD) technique, the thermodynamic assessments of the B–Re (Re: Ce, Pr) binary system were carried out based on the experimental data including thermodynamic properties and phase equilibria. Gibbs free energies of the solution phases (liquid, fcc, bcc, dhcp) were modeled by the subregular solution model with the Redlich–Kister equation, and those of the...
We present a new algorithm to generate Special Quasirandom Structures (SQS), i.e., best periodic supercell approximations to the true disordered state for a given number of atoms per supercell. The method is based on a Monte Carlo simulated annealing loop with an objective function that seeks to perfectly match the maximum number of correlation functions (as opposed to merely minimizing the distance...
New solubility data have been measured with an isothermal equilibration technique in the systems Ni–Pb and Fe–Ni–Pb. In the adopted technique, liquid lead was equilibrated in specially formed quartz ampoules, either with solid nickel or an iron–nickel foil. An Inductively Coupled Plasma (ICP) emission spectrometer and Electron Microprobe Analysis (EPMA) were used for chemical analysis of the phases...
Phase relationships in Au–Ce–Sn ternary system have been thermodynamically modeled by using the CALPHAD technique. Out of the three binary systems, two systems (i.e. Au–Ce, and Sn–Ce) were thermodynamically assessed in this work, and the description of the third one (i.e. Au–Sn) was significantly improved from that of the previous one by adopting the recently published lattice stability of Sn(hcp)...
All directly measured experimental data on phase equilibria and thermodynamic data of the Al–P system are critically reviewed, based on meticulous analysis of original sources. Confusion in the literature, especially regarding the reference state of phosphorous, is clarified. Based on these digested original data a consistent thermodynamic description is developed using the Calphad method. For the...
The phase equilibria of the binary Gd–Ti system were studied by combining electrostatic levitation of the melt with high energy synchrotron in situ X-ray diffraction at elevated temperatures. The coexistence of the phases including the liquid was directly proven in the temperature range between T=1000 and 1920K. The Gd–Ti system is of monotectic type characterized by a miscibility gap in the liquid...
The complete Mn–Nd phase diagram was established experimentally by means of key samples and diffusion couple techniques. The phase transformation temperatures, crystal structures and phase equilibria were studied using differential scanning calorimetry (DSC), X-ray diffraction (XRD), electron probe microanalysis (EPMA), and scanning electron microscope (SEM) techniques. Three compounds in the Mn-rich...
The Cd–X (X= Sr, Ti, B, V) systems have been critically reviewed and modeled by means of the CALPHAD approach. The eight compounds, SrCd11, SrCd6, Sr13Cd58, SrCd2, SrCd, Sr5Cd3, TiCd and Ti2Cd, were treated as stoichiometric phases. By means of first-principles calculations, the enthalpies of formation at 0K for the SrCd11, SrCd2, SrCd and Sr5Cd3 have been computed to be −13892.5, −33985.2, −32280...
The Ni–Sc system was thermodynamically assessed by the CALPHAD approach based on the available experimental data including the thermodynamic properties and phase equilibria. The excess term of the Gibbs energy of the solution phases (liquid, b.c.c., f.c.c. and h.c.p.) was assessed with the recent exponential temperature dependence of the interaction energies by Kaptay (Calphad 28–2 (2004) 115–124;...
The anisotropic diffusion behavior of Zn in hcp Mg was for the first time experimentally investigated using diffusion couple experiments with Mg single crystals at temperatures between 553 and 603K (280 and 330°C). The diffusion coefficients determined from Zn concentration profiles in hcp Mg single crystals are: D⊥hcp−MgZn=4.98×10−5exp(−132725/RT) m2/s along the basal plane and Dllhcp−MgZn=7.33×10−5exp(−135488/RT)...
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...
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