Atomic mobilities and diffusional growth in solid phases of the V–Nb and V–Zr systems

In conjunction with the thermodynamic parameters in the literature, the atomic mobilities of the V–Nb and V–Zr bcc alloys were assessed from experimental diffusion coefficients. The assessed atomic mobilities are given as functions of temperatures and composition in the CALPHAD format. Comparisons between the calculated and experimental quantities show that the obtained mobility parameters enable most of the experimental diffusion data to be well reproduced. Based on the velocity constructions for lattice planes in V/Nb diffusion couples, the displacements of Kirkendall makers were investigated under various annealing conditions, and the results are in general agreement with experimental values. In addition, computational studies of V/Zr diffusion couples were carried out for the kinetic behaviors of V ₂Zr at various annealing temperatures, from which the temperature dependence of the interdiffusion coefficients for V ₂Zr was evaluated.     

Thermodynamic modeling of the Mg–Ge–Pb system

All available thermodynamic and phase diagram data of the Mg–Ge and Mg–Pb binary systems, and the Mg–Ge–Pb ternary system have been critically evaluated and all reliable data have been simultaneously optimized to obtain one set of model parameters for the Gibbs energies of the liquid and all solid phases as functions of composition and temperature. The liquid phase was modeled using the Modified Quasichemical Model in order to describe the strong ordering in Mg–Ge and Mg–Pb liquid. Mg₂Ge–Mg₂Pb solid solution phase was modeled with consideration of a solid miscibility gap. All calculations were performed using the FactSage thermochemical software.     

Liquid–solid equilibria in quinary system Na,Mg/Cl,SO4,NO3–H2O at 298.15 K

In order to develop the nitrate deposits found close to Lop Nur in the Xinjiang region in China, the solubilities of the system Na⁺,Mg²⁺/Cl⁻,SO₄²⁻, NO₃⁻–H₂O and its subsystems, the quaternary systems Na⁺,Mg²⁺/SO₄²⁻,NO₃⁻–H₂O and Mg²⁺/Cl⁻,SO₄²⁻,NO₃⁻–H₂O, were studied at 298.15 K. The phase diagrams were plotted according to the solubilities achieved. In the equilibrium phase diagram of Mg²⁺/Cl⁻,SO₄²⁻,NO₃⁻–H₂O, there are two invariant points, five univariant curves and four regions of crystallization: Mg(NO₃)₂6H₂O,MgCl₂6H₂O,MgSO₄7H₂O and MgSO₄(1–6)H₂O. In the equilibrium phase diagram of Na⁺,Mg²⁺/SO₄²⁻, NO₃⁻–H₂O, there are five invariant points, eleven univariant curves and seven regions of crystallization: Na₂SO₄,Na₂SO₄10H₂O,NaNO₃,MgSO₄Na₂SO₄4H₂O,NaNO₃Na₂SO₄2H₂O,Mg(NO₃)₂6H₂O and MgSO₄7H₂O. In the equilibrium phase diagram of the Na⁺, Mg²⁺/Cl⁻,SO₄²⁻,NO₃⁻–H₂O system, there are six invariant points, and ten regions of crystallization: NaCl, NaNO₃,Na₂SO₄,Na₂SO₄10H₂O,MgSO₄Na₂SO₄4H₂O, NaNO₃Na₂SO₄2H₂O,MgCl₂6H₂O,Mg(NO₃)₂6H₂O, MgSO₄(1–6)H₂O and MgSO₄7H₂O.     

On the computation of the Ratliff–Rush closure

Let R be a Cohen–Macaulay local ring with maximal ideal m. In this paper we present a procedure for computing the Ratliff–Rush closure of an m-primary ideal IR.     

Thermodynamic modeling of the C–Pu–U system

The ternary C–Pu–U system is thermodynamically assessed to pursue the development of a thermodynamic database for future nuclear fuels. The substitution model was used for the liquid phase, and a two-sublattice model for the PuC–UC monocarbide, PuC₂–UC₂ dicarbide and Pu₂C₃–U₂C₃ sesquicarbide phases. Ternary interaction parameters were adjusted on the experimental information for the phase relationships. Isoplethal and isothermal ternary sections, as well as some liquidus temperatures are calculated and compared with the experimental data. The overall agreement is discussed, and shows that experimental uncertainties still remain.     

Correlation of solubilities for the system with the Pitzer model at 15, 25, 50, and

Solubility data of the NaCl+LiCl+H₂O system have been measured at 15 C. These data along with others recorded in the literature, at 25, 50, and 100 C, have been correlated using the Pitzer model and the extended Debye–Hückel model. The latter was used to determine the activity and osmotic coefficients of the binary systems NaCl+H₂O and LiCl+H₂O. The results obtained in this work show that the calculated solubility values are in good agreement with the experimental ones.     

The experimental study of the Bi–Sn, Bi–Zn and Bi–Sn–Zn systems

The binary Bi–Sn was studied by means of SEM (Scanning Electron Microscopy)/EDS (Energy-Dispersive solid state Spectrometry), DTA (Differential Thermal Analysis)/DSC (Differential Scanning Calorimetry) and RT-XRD (Room Temperature X-Ray Diffraction) in order to clarify discrepancies concerning the Bi reported solubility in (Sn). It was found that (Sn) dissolves approximately 10 wt% of Bi at the eutectic temperature.

The experimental effort for the Bi–Zn system was limited to the investigation of the discrepancies concerning the solubility limit of Zn in (Bi) and the solubility of Bi in (Zn). Results indicate that the solubility of both elements in the respective solid solution is approximately 0.3 wt% at 200 C.

Three different features were studied within the Bi–Sn–Zn system. Although there are enough data to establish the liquid miscibility gap occurring in the phase diagram of binary Bi–Zn, no data could be found for the ternary. Samples belonging to the isopleths with w(Bi) 10% and w(Sn) 5%, 13% and 19% were measured by DTA/DSC. The aim was to characterize the miscibility gap in the liquid phase. Samples belonging to the isopleths with w(Sn) 40%, 58%, 77/81% and w(Zn) 12% were also measured by DTA/DSC to complement the study of Bi–Sn–Zn. Solubilities in the solid terminal solutions were determined by SEM/EDS. Samples were also analyzed by RT-XRD and HT-XRD (High Temperature X-Ray Diffraction) confirming the DTA/DSC results for solid state phase equilibria.     

Ab initio calculation of the BCC Fe–Al–Mo (Iron–Aluminum–Molybdenum) phase diagram: Implications for the nature of the phase

The metastable phase diagram of the BCC-based ordering equilibria in the Fe–Al–Mo system has been calculated via a truncated cluster expansion, through the combination of Full-Potential-Linear augmented Plane Wave (FP-LAPW) electronic structure calculations and of Cluster Variation Method (CVM) thermodynamic calculations in the irregular tetrahedron approximation. Four isothermal sections at 1750 K, 2000 K, 2250 K and 2500 K are calculated and correlated with recently published experimental data on the system. The results confirm that the critical temperature for the order–disorder equilibrium between Fe₃Al–D0₃ and FeAl–B2 is increased by Mo additions, while the critical temperature for the FeAl–B2/A2 equilibrium is kept approximately invariant with increasing Mo contents. The stabilization of the Al-rich A2 phase in equilibrium with overstoichiometric B2–(Fe,Mo)Al is also consistent with the attribution of the A2 structure to the τ₂ phase, stable at high temperatures in overstoichiometric B2–FeAl.     

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.     

Computer-aided thermodynamics of fcc solid ternary Fe–Co–Cr alloys by Knudsen cell mass spectrometry

The fcc solid ternary Fe–Co–Cr alloys have been investigated thermodynamically by means of computer-aided Knudsen cell mass spectrometry. The “Digital Intensity Ratio” (DIR) method has been applied for the determination of the thermodynamic excess properties. The ternary thermodynamically adapted power (TAP) series concept is used for the algebraic representation of the molar excess properties. The corresponding TAP parameters as well as the values of the molar excess Gibbs energies G^E, of the molar heats of mixing H^E, of the molar excess entropies S^E, and of the thermodynamic activities at 1673 K are presented.     

Thermodynamic description of the Cu–Ag–Zr system

Based on the CALPHAD method, the Ag–Zr and Ag–Cu systems have been assessed thermodynamically. The excess Gibbs energy of the solution phases in the Cu–Ag–Zr system was modeled assuming random mixing of components. The ternary phase was defined as a stoichiometric compound due to the lack of efficient thermodynamic data. At first, parameters capable of describing all phases in the Ag–Zr and the Ag–Cu systems were assessed. Combined with the parameters of the Cu–Zr system assessed previously, the isothermal sections of the Cu–Ag–Zr system at 1023 K and 978 K were extrapolated, which can reproduce the measured phase-relations.     

Thermodynamic description of the Dy–Ni system

The Dy–Ni binary system has been thermodynamically assessed by means of the computer program Thermo-Calc. The Redlich–Kister polynomial was used to describe the solution phase, liquid (L). Ten compounds, Dy₃Ni, Dy₃Ni₂, DyNi, DyNi₂, DyNi₃, Dy₂Ni₇, DyNi₄, Dy₄Ni₁₇, DyNi₅ and Dy₂Ni₇, were treated as stoichiometric phases. The parameters of the Gibbs energy expressions were optimized according to all the available experimental information of both the equilibrium data and the thermodynamic results. A set of self-consistent thermodynamic parameters of the Dy–Ni system has been obtained. The calculations agree well with the respective experimental data.     

Thermostable tensoresistors of Co doped GaSb–FeGa1.3 eutectic composites

The microstructure and tensoresistive properties of GaSb–FeGa_1.3 eutectic composites doped with 0.1% Co have been investigated. It was found that the Co impurity atoms mainly accumulate in the metallic inclusions. The length of the inclusions in GaSb–FeGa_1.3Co was measured to be about half of those in undoped GaSb–FeGa_1.3 eutectics. The tensometric characteristics of gauges based on GaSb–FeGa_1.3Co have been found to be more thermostable than undoped samples.