The binary In ? Li system is a promising Li-ion battery anode material as well as a part of the important ternary Ge ? In ? Li system. The thermodynamic descriptions of metallic systems are widely ...used to retrieve information necessary for alloy applications. In this work, a thermodynamic model of a binary indium ? lithium system prepared by the Calphad approach is proposed. The liquid phase was described by an associate model, and the solid phases determined by the ab-initio calculation were included in the thermodynamic modeling. The obtained set of self-consistent thermodynamic parameters well reproduces the available experimental data and enables further calculations of multi-component systems. A good agreement between the calculations and the available experimental data was found. The proposed model can be used for further descriptions of ternary systems.
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IZUM, KILJ, NUK, PILJ, PNG, SAZU, UL, UM, UPUK
A drop calorimetry method was used to measure the partial and integral mixing enthalpies of Ag-Mg-Pd liquid solutions. The experiments were performed for six separate series of liquid alloys starting ...from the binary alloys with constant xAg/xMg ratios equal to 1/9, 1/3, 1/1, and 3/1 for (Ag0.10Mg0.90)1-xPdx and (Ag0.25Mg0.75)1-xPdx at 1116 K and (Ag0.50Mg0.50)1-xPdx and (Ag0.75Mg0.25)1-xPdx at 1279 K and xMg/xPd ratios of 9/1 and 4/1 for (Mg0.90Pd0.10)1-xAgx and (Mg0.80Pd0.20)1-xAgx at 1116 K. Then, using the thermodynamic properties of the binary systems in the form of the Redlich-Kister equations and the changes in mixing enthalpies provided by this study, the ternary interaction parameters were determined with the Muggianu model and our own software (TerGexHm). Based on the binary and ternary interaction parameters, the partial mixing enthalpies of Ag, Mg, and Pd were calculated for the same cross-sections where the measurements were conducted. These studies were the first step of an investigation of the Ag-Mg-Pd system before the calculation of the phase diagram for this ternary system.
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The limiting enthalpy of the solution of liquid indium in liquid tin was measured at 723 K. The calorimetric method was applied to determine the standard enthalpy of the formation of intermetallic ...phases and alloys from the In-Li system. The measurements were done at 747 K and 756 K. The structures of prepared alloys were confirmed by the X-ray diffraction measurements. Besides that, the ab initio calculations allowed the modeling of the formation energies, the volume thermal expansion, the heat capacity under constant pressure, and the elastic properties of the intermetallic phases. The theoretical formation energies show good agreement with the experimental findings. The analysis of the phonon dispersion indicates an instability of the InLi phase in the Fd-3m space group. A further investigation on the atomic arrangement in the case of the equiatomic ratio is suggested.
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This paper presents the results of electromotive force measurements using coulometric titration technique for liquid and solid Mg-Pd alloys with concentrations up to 0.70 Mg mole fraction and at 918 ...K. These measurements made it possible to verify the homogeneity range of the occurring phases and phase boundaries in the investigated system. Based on the obtained results and other thermodynamic data found in the literature, the phase diagram of the Mg-Pd system was optimized using the CALPHAD method and ab initio calculations. The thermodynamics of the intermetallic phases, the liquid phase, and the solid solutions were described by the correct equations, which can be used in the future to calculate multicomponent systems with the Mg-Pd system as one of the binary components. The thermodynamic calculations successfully reproduced the Mg-Pd phase diagram.
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•A new calorimetric measurement in liquid Ag-Mg alloys was performed.•Ab initio calculations were utilized for determination mechanical and thermodynamical properties of Ag-Mg compounds.•A new ...thermodynamic model of Ag-Mg system was proposed.
The experimentally determined integral enthalpy of mixing of liquid Ag-Mg alloys has been presented. Three separate measurements have been made at 991, 1141, and 1272 K with the use of an MHTC 96 Line Evo line drop calorimeter. The values of integral molar mixing enthalpy are characterized by negative deviations from the ideal solutions in the entire concentration range. Based on the obtained calorimetric results and other thermodynamic data available in the literature, the Ag-Mg system has been re-optimized. Additionally, the mechanical properties of the Ag-Mg intermetallic phases have been calculated based on the ab initio calculations.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZRSKP
With the use of the differential thermal analysis (DTA), studies of the phase transitions were conducted for 90 of alloys from the quaternary Bi-In-Sn-Zn system and for the constant ratio of Bi:In ...and Bi:Sn. The studies were conducted for the alloys prepared from the purity metals (Bi, In, Sn, Zn = 99.999 mas. %) by way of melting in a graphite crucible in a glove-box filled with Ar, in which the impurities level was less than 0.1 ppm. After melting and thorough mixing, the liquid alloys were poured out into a graphite test mold. The phase transition temperature data obtained from the DTA investigations were next confronted with those determined from the calculations based on the binary and ternary optimized thermodynamic parameters available in the literature. It was found that the experimental and the calculated phase transition temperatures were in good agreement.
The ternary Cu-Al-Sn phase diagram is the base for several important types of alloys, with relevant industrial interest and applications. The knowledge of the melting/solidification alloys ...characteristics are determinant for their preparation and properties control. However, there is a lack of experimental information on the ternary phase diagram, at high temperature. In this work, several alloys, with high copper content and additions of Al, up to 10%, and Sn, up to 14% (in wt%), were studied by thermal analysis and by isothermal phase equilibria determination. The alloys liquidus and solidus lines and the binary ? + ? phase field, at 800 ?C, are presented for the studied range of compositions.
nema
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Thermodynamic Properties of Li-Sb Liquid Solution by QAM Terlicka, S.; Gąsior, W.; Dębski, A.
Metallurgical and materials transactions. A, Physical metallurgy and materials science,
09/2020, Volume:
51, Issue:
9
Journal Article
Peer reviewed
Open access
The optimization of the thermodynamic properties of a liquid Li-Sb system is performed based on all available literature data. The description of the excess Gibbs energy as a function of temperature ...and composition is presented using a qualitative associate model (QAM), described in our earlier work on the Li-Pb system. The modeled molar mixing enthalpy changes, excess Gibbs energy and the molar excess entropy values are characterized by strong negative deviations from the ideal solution in the entire concentration range. It was found that the best correlation between experimental data and those calculated using QAM is observed if the Li
3
Sb and LiSb associates are assumed to be in the liquid Li-Sb solution. Calculations of the microscopic function,
i.e
., the concentration-concentration in the long-wavelength limit, (
S
cc
(0)) excess stability function (ES) and short-range-order parameter (SRO(
α
)) show the extreme (maximum or minimum) values almost exactly for the concentrations of Li
3
Sb associate (and intermetallic phase in solid alloys) and LiSb. The quotient of real
S
cc
(0) to this for the ideal solution (
S
cc
(0)
id
) is characterized by a similar property to the mentioned structure factors.
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EMUNI, FIS, FZAB, GEOZS, GIS, IJS, IMTLJ, KILJ, KISLJ, MFDPS, NLZOH, NUK, OBVAL, OILJ, PNG, SAZU, SBCE, SBJE, SBMB, SBNM, UKNU, UL, UM, UPUK, VKSCE, ZAGLJ
•Chosen Mg-Pd alloys, close to intermetallic phases were casted.•Standard enthalpies of formation of alloys were determined by drop calorimetry.•Good agreement of measured values with calculated data ...was found.•Samples were characterized by DSC, XRD and SEM.
Despite the fact that the affinities of both palladium and magnesium with hydrogen have been studied for many years, information about magnesium-palladium alloys is still incomplete. Although palladium is an extremely expensive metal and magnesium palladium alloys will likely never applied as solid-state hydrogen storage materials, the interaction of these alloys with hydrogen may be useful for broadening knowledge or finding applications as hydrogen splitters, catalysts, and hydrogen sensors. In this work, two types of calorimetric techniques were applied to measure the thermodynamic properties of magnesium-rich alloys from the Mg-Pd system (containing 97.7; 85.4; 80.6; 79.9; 72.3; 70.7; 64.5 at% of Mg respectively). The solution calorimetric method was used to determine the heat of solution of liquid magnesium and palladium in liquid tin. Additionally, the standard enthalpies of formation of six alloys corresponding to the intermetallic phases of the Mg-rich region were measured. These alloys were prepared from pure Mg and Pd, which were melted in a glove box filled with high purity argon, with a very low concentration of impurities. All the obtained alloys were structurally analysed by X-ray diffraction (XRD) and scanning electron microscopy (SEM/EDS) methods. Moreover, DSC studies were used to determine the transformation temperatures in the Mg-rich region. The values of the standard formation enthalpy of the studied alloys were determined to be −27.3 ± 0.8 kJ/mol at., −33.4 ± 0.9 kJ/mol at., −35.2 ± 1.4 kJ/mol at., −44.2 ± 0.9 kJ/mol at., −46.0 ± 0.7 kJ/mol at., and −54.3 ± 2.3 kJ/mol at. These values were compared with the data calculated using the Miedema model, as well as with existing literature data for the Mg6Pd and Mg5Pd2 phases.
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This publication contains the thermodynamic results received by the drop calorimetry method. The experiments were conducted for four different cross sections, at the temperature of 1080 K. The ...investigated alloys were as follows: (Ga0.75Li0.25)1-xGex, (Ge0.50Li0.50)1-xGax, (Ga0.50Li0.50)1-xGex, (Ga0.25Li0.75)1-xGex. The mixing enthalpy changes measured for all four cross sections of the Ga-Ge-Li system are characterized by negative deviations from the ideal solutions. The Muggianu model with the ternary interaction parameters was applied to elaborate the experimental data of the mixing enthalpy change with the use of the optimized thermodynamic parameters of the binary systems available in the literature.
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