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The viscosity database for the Al–Cu–Mg–Si system was constructed using the CALPHAD (CALculation of PHAse Diagram)-type formalism. Viscosities of pure elements were described with the Arrhenius formula based on the experimental data. Subsequently, viscosities of the Al–Cu, Al–Si, Al–Mg and Cu–Si binary systems were assessed via CALPHAD technique and compared with the corresponding experimental data...
The ternary system LiCl–KCl–CeCl3 and binary subsystems LiCl–CeCl3 and KCl–CeCl3 were critically assessed by using CALPHAD method based on available literature data in the present work. A two-sublattice ionic solution model (Li+, K+, Ce3+)P(Cl−, K2CeCl5)Q was adopted to describe the ternary liquid phase. Most of the experimental data can be reproduced well and a reasonable description of equilibrium...
Based on the critical review of the ternary Mg–Mn–Ni system, 12 alloys were prepared using a powder metallurgy method in a glove box. The isothermal section of the Mg–Mn–Ni system at 400°C was determined. Ternary compound τ (Mg3MnNi2) was confirmed in the present work. In order to obtain the phase transition temperatures, differential scanning calorimetry (DSC) was applied to the selected alloys using...
Melting temperatures of Sn–Ag–Cu (SAC) alloys in the Sn-rich corner are of interest for lead-free soldering. At the same time, nanoparticle solders with depressed melting temperatures close to the Sn–Pb eutectic temperature have received increasing attention. Recently, the phase stability of nanoparticles has been the subject of plenty of theoretical and empirical investigations. In the present study,...
An improved thermodynamic model of the Fe–Co phase diagram has been achieved by incorporating new experimental data that was obtained via containerless processing. Fe–Co samples were prepared with 30, 40, and 50at% cobalt, and they were processed via electrostatic levitation (ESL). The samples were levitated, melted, and allowed to cool and solidify in a vacuum. If sufficient undercooling was achieved,...
First-principles calculations and CALPHAD method are combined to obtain a thermodynamic description of the Cr–Ge–Mn and Cr–Ge–Si systems. Especially mixing enthalpy in substituting solid solutions (Cr/Mn or Ge/Si) is calculated at 0K using the Density Functional Theory. These data are then used together with available literature data to obtain a description of the ternary systems.
The thermodynamic properties of cesium oxides were calculated by combining ab initio calculations at 0K and a quasi-harmonic statistical thermodynamic model to determine the temperature dependency of the thermodynamic properties. In a second approach, the CALPHAD method was used to derive a model describing the Gibbs energy for all the cesium oxide compounds and the liquid phase of the cesium–oxygen...
The solubilities and densities of the quaternary system NaBr–KBr–CaBr2–H2O were investigated by the method of isothermal solution saturation at 298K. On the basis of the experimental data, the phase diagram, water content diagram and the density-composition diagram were plotted, respectively. In the phase diagram of quaternary system NaBr–KBr–CaBr2–H2O at 298K, no complex salt or solid solution was...
The experimental viscosities and diffusivities in Al–Mg–Si melts as well as the experimental diffusivities in fcc Al–Mg–Si alloys available in the literature were first critically reviewed. The Sutherland equation was then employed to convert the experimental viscosity data into self-/tracer diffusivity data in Al–Mg–Si melts. Based on the experimental diffusivities together with the converted ones,...
By means of an optimization procedure, the AgNO3–CsNO3–NaNO3 ternary system has been assessed. The mixing enthalpies in the ternary system and the results derived from thermodynamic descriptions for the three limiting binary systems are used. For the AgNO3–NaNO3 and CsNO3–NaNO3 systems, optimized Gibbs energy expressions were taken from the literature. An assessment of the binary AgNO3–CsNO3 system...
Phase equilibria in the Fe–Sn–Ti ternary system at 1073 and 1273K were experimentally investigated through alloy sampling approach facilitated with electron probe micro-analyzer and X-ray diffraction. Two ternary compounds TiFe2Sn and Ti2FeSn were detected. Ten 3-phase equilibria at 1073K, including β(Ti)+Ti3Sn+FeTi, Ti3Sn+FeTi+Ti5Sn3, FeTi+Ti5Sn3+Ti2FeSn, Ti2FeSn+Fe2Ti+TiFe2Sn, Ti2FeSn+Ti5Sn3+Ti6...
A structure-based modification of the Guggenheim's quasi-chemical model for the prediction of the thermodynamic functions of mixing in binary silicate and aluminate melts is presented and the extension of this approach to ternary systems is discussed. Based on the “anionic” point of view on the oxide melts structure, the novel method for determination of the interchange energy (a principal parameter...
The crystal and electronic structures of Ti5Sb2X (X=Al, Ga, In, Si, Ge, Sn) ternary compounds in the Nb5Sn2Si-type structure (ternary-D8m) have been investigated by means of first principles calculations. The calculated structural parameters are in good agreement with the experimental data. The total electronic densities of states as well as the Bader charges of the atoms have been computed. Both...
By employing six groups of bulk diffusion couples together with electron probe microanalysis technique, the composition dependence of ternary interdiffusion coefficients in Co-rich fcc Co–Mo–W alloys at 1373K was determined via the Whittle and Green method. The experimental interdiffusion coefficients were critically assessed to obtain the atomic mobilities of Co, Mo and W in fcc Co–Mo–W alloys by...
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