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A new ternary compound, Mg11-xZnxSr in the Mg-Zn-Sr system was observed and studied using Scanning Electron Microscopy (SEM), Energy-Dispersive Spectroscope (EDS), X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM). The XRD patterns were refined by the Rietveld refinement method and the results revealed that the crystallized Mg11-xZnxSr phase belonged to tetragonal I41/amd space group and had the Cd11Ba prototype. The Mg atoms were successfully doped into Zn11Sr crystal lattice by occupying Zn atomic sites. Moreover, the Rietveld refinement and computational results demonstrated a gradual decrease in the a-axis and c-axis lattice parameters with decreasing concentration levels of Mg coordination substitution in the lattice of Mg11-xZnxSr compound. The elastic constants and modulus of the Mg11-xZnxSr compounds calculated by first-principles calculations (FPC) indicated they were increased with the increasing of Zn content. The variation of hardness, d -band widths and the total density of states for Mg11-xZnxSr compounds with Zn content was discussed.

The long-period stacking ordered phases (LPSOs) in Mg−Ni−Y system have been attracting great interest as effective strengthening components because of their unique structural characteristics and deformation mechanism. However, the phase relationships in LPSOs are complicated and unclear, which restricts the design of advanced magnesium-based alloys. The aim of the present work is to experimentally determine the phase equilibria relationships focusing on LPSOs and establish the thermodynamic description for Mg−Ni−Y system. Four types of LPSOs, that is, 14H, 12R, 18R and 10H, are confirmed through equilibrated alloys and high-resolution transmission electron microscopy (HR-TEM). The formation enthalpies of LPSOs (14H, 12R, 18R and 10H) are calculated based on density functional theories (DFT) calculations. A new ternary compound, termed as τ phase, is observed for the first time which is likely to be the distorted structure of 12R as determined from the TEM image which shows a 12-layer closed packing plane distance of 3.252 nm and a shear angle of 83.2° between (0002) and (10 1 ¯ 0) planes. Based on the determined phase equilibria relationship, the Mg−Ni−Y system is assessed and a self-consistent description is obtained where the LPSOs are modeled as the stoichiometric compounds. The comparison between the calculation result and experimental data suggests the accuracy of the present thermodynamic database in the Mg-rich corner.

The phase equilibria of the Mg–Ag–Cu ternary system at 350 and 400 °C were experimentally investigated using twenty-eight key samples. The phase equilibria and compositions in key samples were investigated using scanning electron microscopy (SEM) equipped with energy-dispersive spectroscopy (EDS). Powder X-ray diffraction (XRD) technique was used to analyze the crystal structure and solid solubility of compounds. Five three-phase equilibria and several two-phase equilibria have been determined at 350 and 400 °C. The solid solubility range of Cu in the compounds Mg3Ag, MgAg and fcc(Ag) were examined at 350 and 400 °C. The maximum solid solubility of Ag in the compound MgCu2 was found to be 11.46 at.% and 11.25 at.% with a constant value of about 66 at.% Cu at 350 and 400 °C, respectively. Besides, the solid solubility limits of Ag in the compounds Mg2Cu and fcc(Cu) were found to be less than 5 at.% at 350 and 400 °C. No ternary compound was observed in the present work.

Bismuth antimony telluride (Bi0.5Sb1.5Te3) is a ternary compound with good thermoelectric properties at near room temperature. In this research, Bi0.5Sb1.5Te3 powders were hydrothermally synthesized at different temperatures (100, 150, 190, and 230°C) for 24 h. The deposition procedure of Bi0.5Sb1.5Te3 thin films was done by using thermal evaporation. The phases and microstructures of powders and thin films were investigated by x-ray diffraction and field emission scanning electron microscopy. Moreover, the size distribution of powders was investigated using a particle size analyzer. The phase and microstructural results of the different synthesized powders confirmed that the Bi0.5Sb1.5Te3 thin film prepared by powder synthesis at 150°C for 24 h is the best choice for manufacturing with good thermoelectric properties because of its nano-sized grains and high purity. The results showed that the Bi0.5Sb1.5Te3 thin film fabricated by powders synthesized at 150°C has a single rhombohedral phase with a good semiconductor performance. The results of thermoelectric tests confirmed that the Bi0.5Sb1.5Te3 thin film fabricated using a hydrothermal method and thermal evaporation deposition approach shows a high Seebeck coefficient (183.5 μV/K) and low electronic thermal conductivity (1.32 × 10−4 W/m k−1) at 298 K. Besides, the power factor values of 0.7, 2.59 and 2.9 μW/cm K−2 were obtained at 298, 373 K and 473 K, respectively.

Thermodynamic assessment of the ternary system B-Hf-Zr has been conducted by modeling the Gibbs energy of all individual phases using the CALPHAD (CALculation of PHAse Diagrams) approach. There is no ternary compound in this system. The individual solution phases, i.e., liquid, (βHf,βZr), HfB and (Hf,Zr)B2 have been modeled. The modeling covers the whole composition and temperature ranges. The Gibbs energies of HfB2 and HfB in the B-Hf system were reassessed using the two-sublattice models (B,Hf)1(B,Hf)2 and (Hf)1(B,Hf)1, respectively. A set of self-consistent thermodynamic parameters for the B-Hf-Zr system was obtained by considering the phase diagram data in the ternary system. Comprehensive comparisons between the calculated and measured phase diagram and thermodynamic data show that the experimental information was satisfactorily accounted for by the present thermodynamic description. The liquidus projection and reaction scheme of the B-Hf-Zr system are also presented.

The effects of joining temperature (TJ) and time (tJ) on microstructure of the transient liquid phase (TLP) bonding of GTD-111 superalloy were investigated. The bonding process was applied using BNi-3 filler at temperatures of 1080, 1120, and 1160 °C for isothermal solidification time of 195, 135, and 90 min, respectively. Homogenization heat treatment was also applied to all of the joints. The results show that intermetallic and eutectic compounds such as Ni-rich borides, Ni−B−Si ternary compound and eutectic-γ continuously are formed in the joint region during cooling. By increasing tJ, intermetallic phases are firstly reduced and eventually eliminated and isothermal solidification is completed as well. With the increase of the holding time at all of the three bonding temperatures, the thickness of the athermally solidified zone (ASZ) and the volume fraction of precipitates in the bonding area decrease and the width of the diffusion affected zone (DAZ) increases. Similar results are also obtained by increasing TJ from 1080 to 1160 °C at tJ=90 min. Furthermore, increasing the TJ from 1080 to 1160 °C leads to the faster elimination of intermetallic phases from the ASZ. However, these phases are again observed in the joint region at 1180 °C. It is observed that by increasing the bonding temperature, the bonding width and the rate of dissolution of the base metal increase. Based on these results, increasing the homogenization time from 180 to 300 min leads to the elimination of boride precipitates in the DAZ and a high uniformity of the concentration of alloying elements in the joint region and the base metal.

Cd1−xZnxTe (CZT)-based matrices have highest absorption capabilities and tunable band gap, so it can be utilized as the central most significant photon absorption layer. In this research, we have briefly investigated the effect of annealing dynamics over the phosphorus ion (P+) implanted Cd1−xZnxTe on different stoichiometric ratios. The P+ ions are introduced at 800 keV in order to tailor/tune the electro-optical characteristics of said ternary compound matrix for its utilization as an active medium in photovoltaic and related application. In this specific study, the annealing dynamics of P+ implanted Cd1−xZnxTe scheme have been studied, and three temperature ranges were chosen ~ 300, 350, and 400 °C for such purpose. The impact of annealing behavior has been envisaged by electrical and electro-optical characterization techniques, i.e., current–voltage (I–V), activation energy, charge-based deep-level transient spectroscopy (Q-DLTS) and transient of photo-voltage (TPV). From Q-DLTS study, one has obtained different defect levels that may limit the overall performance of the as-implant CZT matrix. By adopting RTA process, the damage content in form of trap levels has shifted themselves near premises to their respective band edges i.e., for as-implant cases, the trap level placed near the Fermi level and when the RTA process subjected the trap levels localized themselves to the close proximity to either of its band edge (valance/conduction level), e.g., the trap level of CdTe shift from 0.123 to 0.005 eV, i.e., near the valance band edge which may enhance the trap characteristics. Also, the activation energy and transient of photo-voltage analysis direct the physical importance of RTA process because this process may provide significant increase of carrier’s generation by reduction in activation energy and elevation of photo-voltage by utilizing the appropriate annealing sequence to subject CZT crystal. The TPV analysis of Cd0.75Zn0.25Te sample shows higher extent of physical voltages ~ 63 mV at 400 °C annealing sequences, whereas for as-implant case provides just ~ 10 mV.

The increasing demand for lithium-ion batteries has stimulated the investigation of new compounds in order to reduce the costs and the toxicity of their cathodes. Materials constituted of ternary lithiated oxide compounds are a successful alternative to cobalt-rich cathodes. The main disadvantage of ternary compound materials (TCM) is that the maximum amount of electrical charge is only achieved at high redox potentials, a limiting factor if we consider the current development in electrolyte technology. In this work, we investigated the influence of sputtering deposition parameters on the charge capacity of TCM thin films, restraining their electrochemical potential to conventional values. To do so, we analyzed the impact that small changes in crystalline and morphological structures have on the charge capacity at low cell potentials. For this, we performed the RF magnetron sputtering of TCM thin films, and carried out a factorial design of experiments to investigate their electrochemical properties, while limiting the charging potential to 4.20 V vs. Li|Li+. The films were deposited onto a rigid and conductive substrate with different parameters (power and pressure at room temperature). Electrochemical results showed that the discharge capacity is strongly influenced by the deposition parameters, reaching 250 mAh g− 1 even at 4.20 V vs. Li. This value is superior to the ones of the conventional cobalt cathode and the bulk ternary electrode. Both deposition parameters exhibited a synergic dependency, which means that they need to be simultaneously varied for a response optimization. The discharge capacity of the analyzed samples was highly affected by the surface morphology of the film and its crystallographic properties, and not by its elemental composition. High discharge capacity was obtained without additional thermal treatments, which favors the manufacture of films over polymeric substrates for future electronic applications.

The magnesium-rich intermetallic ternary compound NdNiMg15 in space group P-4/nmm (no. 26) space group in trigonal phase is studied theoretically using hybrid functional theory (HP-B3PW91) in the density functional theory (DFT) framework. The calculation results are in good agreement with experimental data. The metallic nature of the compound is estimated from the electronic properties. The magnetic as well as metallic character of the compound is due to the Nd 4f electrons. The title compound exhibits good conductivity as revealed by the thermoelectric analysis. The magnetic phase of the material indicates its stability within the G-type antiferromagnetic phase (G-AFM), governed by direct Nd–Nd exchange interactions with a magnetic moment of 3.57µB/Nd per unit cell. The AFM phase of the studied compound is also confirmed by post-DFT measurements at TN = 8.15 K as well as θ = −2.5 K. The antiferromagnetic nature of this compound could enable its use in magnetic probes to read data stored in antiferromagnetic moments while leaving them unaffected by disturbing magnetic fields.

An ultra-high temperature composite with superior mechanical characteristics was developed using zirconium diboride (ZrB2, 60% by volume), silicon carbide (SiC, 30% by volume), and tantalum carbide (TaC, 10% by volume), and its microstructure characteristics and mechanical properties were obtained experimentally by nanoindentation testing, X-ray diffraction, field emission scanning electron microscopy, X-ray fluorescence analysis, and X-ray photoelectron spectroscopy. Oxide contamination was eliminated, and the ceramic was densified to achieve a fully-dense ternary compound. To assess its performance in a typical real-world application, a finite element analysis was performed using the commercially available ABAQUS package for a one-bay one-story steel frame in which the prepared ceramic was used for the beam–column joint reinforcement end-plates; a good agreement was found with the results reported in the literature for comparable structures. The performance of a steel frame with a plate prepared from functionally graded materials located at the beam–column joint was then modeled in ABAQUS and subjected to the conditions recorded during a 1940 earthquake with a magnitude of 7.7. The results show that the utilized ceramic significantly enhanced the structural behavior of the reinforced concrete frame, confirming its potential utility in a wide range of industrial, structural, and medical applications.

Zinc tin phosphide (ZTP) has attracted recent research interest as a low-cost light sensing material, alternative to III–V and II–III-based compounds, for photo-detector and solar cell applications. In this study, a versatile chemical route for the synthesis of ZTP nanoparticles starting from commercially available alkyl-zinc and tin, alkyl-phosphoramides and trioctylphosphine at a relatively low temperature of 160 °C is reported, which can straightforwardly be extended to other analogous II–IV-P2 group ternary compounds. The particles displayed high stability and can be deposited as layers with few monolayers of thickness. The structural and chemical analysis revealed that the particles are of sub-10 nm size with chalcopyrite structure and ZnSn-phosphide composition. The particles exhibited optical band-gap in the range of 1.65–1.75 eV and a broadband photo-response in the visible wavelengths (400–700 nm) with excellent response to red light.

Research on photovoltaic solar cells has always been exciting due to its clean and green nature. However, the quest for alternative approaches to the design of highly efficient solar cells with optimal cost-efficiency ratios has also been progressing. CuSbS2-based ternary compound semiconductor is a promising candidate for the ultrathin film photovoltaic cell due to the high absorption coefficient, low cost, and earth abundant which makes it suitable to use as a thin-film absorber layer. The impact of various parameters such as thickness, bandgap, band alignment, temperature, carrier concentration, and bandgap grading has been studied to optimize the overall performance of the solar device. In present work, we have adopted the Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D) simulation approach to the design of CuSbS2 absorber-based solar heterostructure cells to boost the electrical properties of the solar cell.

Fundamental thermodynamic properties of the synthetic analog of the famatinite mineral - Cu3SbS4 were studied on the basis of electromotive force (EMF) measurements. The EMF of the concentration chains relative to the Cu electrode with a solid electrolyte was measured for the alloys from the Cu3SbS4 + Sb2S3 + S phase region at 300-380K temperature interval. Based on measurement data, the relative partial thermodynamic functions of copper in alloys, the standard thermodynamic functions of formation, as well as, the standard entropy of the Cu3SbS4 ternary compound were calculated for the first time.

A ternary compound of Li6NiNb2O9 with a rock-salt structure was prepared by the conventional mixed oxide route, and after the ceramic preparation processes, its microwave dielectric properties were investigated. Ceramics with a single phase and a rock-salt crystal structure can be obtained under our optimized sintering conditions, and a disordered rock-salt structure for Li6NiNb2O9 compound can be confirmed by the Rietveld method. Relatively dense microstructures can be obtained under the sintering conditions of 1080°C/2.0 h, with microwave dielectric properties of e = 13.5, Q × f = 20,600 GHz (9.4 GHz) and τf = −33.9 ppm/°C. Although decomposition of such phase occurred when high sintering temperature was applied (> 1100°C), the density and microwave dielectric properties of the ceramics showed anomalous increases.

Phase equilibria during solidification in the Al-Cr-Co system in the range of compositions 0-70 at.% Al were studied using optical microscopy, scanning electron microscopy, electron probe microanalysis, differential thermal analysis and x-ray diffraction. Solidus and liquidus surfaces, a melting diagram as their superposition, a Scheil diagram for solidification, as well as series of isopleths were constructed for the first time. Solid solutions based on Cr, αCo, Cr5Al8 (γ3 and γ1 phases), CoAl, Co2Al5 binary compounds and the ternary compound τ5 take part in phase equilibria. The monoclinic ternary compound τ5 forms by peritectic reaction L + γ1 + Co2Al5 ↔ τ5 at 1065 °C. Four invariant four–phase reactions and one invariant three–phase reaction involving liquid take place at 1280, 1175, 1110, 1065 and about 1480 °C, respectively. Isopleths 10, 20, 30 and 40 at.% Al as well as 40 at.% Cr demonstrate peculiarities of the phase diagram.

The isothermal sections of the Al–Cr–Ta ternary system at 1000 and 1200 °C have been determined by means of electron probe microanalysis and x-ray diffraction. The results show that eleven and nine three-phase regions are determined in the isothermal sections at 1000 °C and 1200 °C, respectively. No ternary compound exists at both two isothermal sections. The addition of Cr makes the Al69Ta39 phase be stable at 1000 °C. The Cr2Ta(HT) phase has a large composition range at both two isothermal sections. The experimental information obtained in the present work could be significant for alloy design and the complement of the thermodynamic database.

The 450 and 600 °C isothermal sections of the Ni-V-Zn ternary system have been investigated through Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and x-ray Diffraction (XRD) technique. Eight three-phase regions have been confirmed at the 450 °C section and nine three-phase regions exist at the 600 °C one. Experimental results indicate that it is difficult for Ni to dissolve in VZn3 and V4Zn5. The solid solubilities of V in γ(Ni2Zn11) and β1(NiZn) are 1.4 and 3.7 at.% at 450 °C, respectively, while V in γ and β1 are 2.5 and 4.0 at.% at 600 °C, respectively. The solid solubilities of Zn in Ni2V7, σ(Ni2V3), Ni2V and Ni3V are 0.5, 4.7, 2.3 and 2.6 at.% at 450 °C as well as 0.5, 9.5, 2.2 and 2.8 at.% at 600 °C, respectively. No ternary compound has been found in this work.

Obtaining a stable Cr3+ phase at higher temperatures in the presence of hydraulic calcium aluminates (the phases found in calcium aluminate cement, CAC) in the Al2O3–CaO–Cr2O3 system remains a significant challenge in many application areas, as the formation of toxic, carcinogenic, and water-soluble Cr6+ compounds often occur. To address the issue, recently, we synthesized a high-temperature stable Cr3+ ternary compound (CaAl2Cr2O7) with space group P3 (143). In the present work, we investigated the formation-stability of CaAl2Cr2O7 with in-situ calcium aluminate phases at 1500 °C under the CO2 atmosphere in the Al2O3–CaO–Cr2O3 system through solid-oxide reactions route varying Cr2O3 content (at constant Al2O3:CaO ratio). It co-existed with hydraulic calcium aluminates and other phases over the full investigated composition range of 2.76–68.3 mol% Cr2O3 (5–80 wt%). Apart from CAC phases (CaAl2O4, CaAl4O7), major Cr3+-phases are CaAl2Cr2O7 and (Al,Cr)2O3 while (α,β)-CaCr2O4 and Ca(Al,Cr)12O19 formed as minor phases. At a constant Al2O3:CaO ratio of 5.6:4.4 mol% (7:3 wt%), the formation of the CaAl2Cr2O7 phase increases with Cr2O3 content (up to the investigated composition of 26.43 mol%) and then decreases gradually. The solid solubility of Al and Cr in the CaAl2Cr2O7 phase limited over a narrow range, and presumably dependent more on heat treatment condition rather than composition as reflected from the lattice parameter calculations. Though XRD revealed the presence of only Cr3+-phases in the partial CO2 atmosphere, however, traces of Cr6+ could be detected using XPS and leaching tests. However, leachable Cr6+ content (0.095–1.252 mg/L) were much below the United States Environmental Protection Agency (US-EPA) permissible limit of 5 mg/L. The formation mechanism of the CaAl2Cr2O7 and other phases with plausible reactions were also discussed.

Thermoelectric technologies allow the direct conversion of waste heat into electricity. A new strategy for finding promising thermoelectric materials is to study the phase diagrams of multicomponent systems. Analysis of recent investigations indicates high perceptivity of Cu 2 Se phase, due to abnormally low values of the thermal conductivity and high values of electrical conductivity. Other thermoelectric materials based on copper have attractive properties, such as: diamond-like compounds, argyrodites, oxiselenides, tetrahedron-type compounds and others. Due to this a more detailed investiation of the Cu–Sb–Se system are actually. An important step in the study of the system is the determination of quasi-binary sections by carrying out the triangulation. For this purpose, the quasi-binarity of sections in the ternary Cu–Sb–Se system at a temperature of 523 K was determined by X-ray diffraction analysis. Since the annealing temperature in the synthesis process is 523 K, six binary Cu 2 Se, CuSe, CuSe 2 , Cu1 .6 Sb 0.4 , Cu 2 Sb, Sb 2 Se 3 and three ternary compounds CuSbSe 2 , Cu 3 SbSe 3 , Cu 3 SbSe 4 took part in the triangulation of the system. Analysis of the early studies showed the presence of three quasi-binary sections in the Cu–Sb–Se system: Cu 2 Se – Cu 3 SbSe 3 , Cu 3 SbSe 3 – CuSbSe 2 and CuSbSe 2 – Sb 2 Se 3 , and the character of the remaining 12 sections requires experimental studies. The quasi-binary section of Cu 2 Se-Sb 2 Se 3 divides the general system of Cu-Sb-Se into two subsystems: Cu 2 Se-Sb 2 Se 3 -Se (30 intersection points) and Cu-Sb-Sb 2 Se 3 -Cu 2 Se (13 intersection points). To optimize the process of triangulation, it was decided to carry out it in stages: synthesis and study of the point in the most informative phase field with following separation and exclusion of quasi-binary and non-quasi-binary sections. Such approach makes it possible to reduce the number of syntheses and the number of used substances. Phase analysis was performed by comparing experimental and calculated from the literature powder patterns of phases present in the systems Cu 2 Se-Sb 2 Se 3 -Se and Cu-Sb-Sb 2 Se 3 -Cu 2 Se. The obtained results indicate that in the subsystem Cu 2 Se-Sb 2 Se 3 -Se has seven stable sections, all of which are based on the ternary compound Cu 3 SbSe 4 . In the Cu-Sb-Sb 2 Se 3 -Cu 2 Se subsystem, 5 quasi-binary sections are stable: three based on binary Cu 2 Se and two sections based on ternary compounds CuSbSe 2 and Cu 3 SbSe 3 .

The thermodynamic modeling of the ternary system C-Cr-Zr has been obtained by modeling the Gibbs energy of all individual phases using the CALPHAD (CALculation of PHAse Diagrams) approach. There is no ternary compound in this system. The liquid is modeled as a substitutional solution phase, while the solid solution phases including ZrC, (αZr), (βCr), (βZr), Cr3C2, Cr7C3, Cr23C6, C14, C15 and C36 are described by sublattice models. The modeling covers the whole composition and temperature ranges. A set of self-consistent thermodynamic parameters for the C-Cr-Zr system is obtained by considering the phase diagram data in the ternary system. Comprehensive comparisons between the calculated and measured phase diagram and thermodynamic data show that the experimental information is satisfactorily accounted for by the present thermodynamic description. The liquidus projection and reaction scheme of the C-Cr-Zr system are also presented.

Cathodic electrodeposition technique has been successfully used to achieve the growth of polycrystalline CdMnTe ternary compound thin films at different cathodic potentials. The choice of various cathodic potentials used in this work was made from the cyclic voltammogram results. The CdMnTe thin films were electroplated from electrolytes containing CdSO4, TeO2 and MnSO4·H2O in an acidic aqueous medium. The electrodeposition was carried out on glass/fluorine-doped tin oxide {FTO} substrates. The structural, optical, morphological and electrical properties of the CdMnTe thin films were studied using X-ray diffraction (XRD), UV–Vis spectroscopy, scanning electron microscopy (SEM), current–voltage (I–V) characteristics and photo-electro-chemical (PEC) cell measurements respectively. The materials investigated in this work were explored under three different conditions namely: as-deposited (AD), heat-treated ordinarily in air (HT) and heat-treated in air in the presence of CdCl2 surface treatment (CC). Results from the XRD showed that the electrodeposited films are polycrystalline with the presence of CdTexOy and CdMnTe peaks. The electroplated films have cubic crystal structures and the preferred orientation was found to be along the (111) plane. The optical energy bandgaps of the thin films were found to be deposition potential dependent. Electrical conductivity types namely p- and n-type conductivity were also obtained at different cathodic potentials using photo-electro-chemical cell measurement technique for as-deposited and heat-treated materials.

The ternary compound Hf2B2Ir5 was assessed as an electrocatalyst for the oxygen evolution reaction (OER) in 0.1 M H2SO4 . The oxidative environment restructures the studied material in the near-surface region, creating cavities in which agglomerates of IrOx(OH)y(SO4)z particles are incorporated. These in situ generated particles result from the oxidation of secondary phases in the matrix as well as from self-controlled near-surface oxidation of the ternary compound itself. The oxidation is controlled by the structural and chemical bonding features of Hf2B2Ir5. The cage-like motif, exhibiting mostly ionic interactions between positively charged Hf atoms and a covalently bonded Ir–B network, selectively controls the extent and kinetics of the transformation process induced during the operation of the electrocatalyst. The resulting self-optimized composite material, formed by a Hf2B2Ir5 matrix surrounding IrOx(OH)y(SO4)z particles, was used in the OER over 240 h at 100 mA cm-2 current density. The chemical changes, as well as the OER performance, were studied via a combination of bulk- and surface-sensitive experimental techniques as well as by employing a quantum-chemical bonding analysis.

Using CALPHAD method, the Al-Zr, Al-Li and Al-Li-Zr systems have been reassessed based on the latest experimental phase relations from literatures and the first-principle calculation of the formation enthalpy for ternary compound T1(AlLi2Zr) in this work. The excess Gibbs energies of solution phases, including liquid, bcc, fcc and hcp, were expressed by the Redlich–Kister polynomial. The stoichiometric compounds, i.e. Al4Zr5, Al3Zr5, AlZr2, AlZr3, Al2Li3, Al4Li9 and T1(AlLi2Zr), were modeled as stoichiometric model and the non-stoichiometric compounds, i.e. Al3Zr, Al2Zr, Al3Zr2, AlZr, Al3Zr4, Al2Zr3, AlLi2 and T2(AlLix+yZr5−x), were described with different sublattice models. Finally, a set of reasonable thermodynamic parameters for Al-Li-Zr ternary system have been obtained, which notes a clear improvement on the self-consistency. The calculated isothermal section at 470 K of Al-Li-Zr system was in reasonable agreement with the experimental one.

Interaction between the components in the Ho-Fe-Sn ternary system was studied using X-ray diffractometry, metallography and electron microprobe analysis. Isothermal section of the phase diagram was constructed at 670 K over the whole concentration range. Component interaction in the Ho-Fe-Sn system at 670 K results in the existence of one ternary compound HoFe6Sn6 which crystallizes in the YCo6Ge6 structure type (space group P6/mmm, a=0.53797(2), c= 0.44446(2) nm). The interstitial-type solid solution HoFexSn2 (up to 8 at.% Fe) based on the HoSn2 (ZrSi2-type structure) binary compound was found. Solubility of Sn in the HoFe2 binary (MgCu2 structure type) extends up to 5 at. %.

The Pb-Se-Sn ternary system is of interest to thermoelectric applications. Nevertheless, no phase diagram exists for the entire compositional regime at any temperature. Ternary Pb-Se-Sn alloys are equilibrated at 350°C and 500°C, and their equilibrium phases are determined. The isothermal sections of the equilibrium Pb-Se-Sn phase diagram at 350°C and 500°C are proposed based on the phase diagrams of the three constituent binary systems and ternary phase equilibria results in the literature and those determined in this study. No ternary compound is found. The phase relationships are similar at 350°C and 500°C. At both temperatures, binary compounds, α-PbSe and γ-SeSn, have very significant ternary solubility, but the ternary solubility of Pb in the Se2Sn phase is negligible. There are still unresolved questions about the type and shape of the liquid phase at the Se corner.

Phase equilibria in the Co–Fe–La system were studied using differential thermal analysis (DTA), X-ray diffraction analysis, scanning electron microscopy (SEM), and electron probe microanalysis (EPMA). Liquidus and solidus projections and a melting diagram for this system over the whole concentration range and a Scheil diagram for solidification were constructed. The ternary compound (Co,Fe)17La2 (τ) (Th2Zn17-type structure) forms by peritectic reaction L + (γCo,Fe) + Co13La ⇄ τ at 978 °C. This ternary compound is located along the isoconcentrate of 11 at.% La and extends from 45.8 to 79.3 at.% Co. The Co13La phase has the widest homogeneity region and dissolves up to 43.3 at.% Fe. The solubilities of Fe in Co5La, Co7La2, Co19La5, and Co3La2 were established to be 10.3, 9.2, 4.7, and 3.2 at.%, respectively. The solubility of Fe in Co1.7La2 and CoLa3 according to EPMA does not exceed 1 at.%. The maximum solubility of La in (γCo,Fe) and (αCo,Fe) is determined to be less than 1 at.%.

The phase relationships of the Ce-Pr-Fe ternary system at 600 °C were experimentally investigated using equilibrated alloys and diffusion junction samples with the use of electron probe microanalysis, x-ray diffraction, and scanning electron microscopy. The isothermal section of the Ce-Pr-Fe system at 600 °C consists of 7 single-phase, 11 two-phase, and 5 three-phase regions. No ternary compound was found. The PrFe2 phase was observed in both ternary alloys and diffusion samples at normal pressure. The solid solubility of Ce in PrFe2 and Pr2Fe17 is 1.76 and 3.75 at.%, respectively. The solid solubility of Pr in CeFe2 and Ce2Fe17 is 13.21 and 0.77 at.%, respectively.

Phase transformations in the Zr-Co-Sn ternary system have been studied at crystallization using differential thermal analysis (DTA), x-ray diffraction analysis, scanning electron microscopy, and electron probe microanalysis. The solidus surface of this system over the whole concentration range is constructed for the first time, involving 20 three-phase regions. Four ternary compounds, viz. ZrCo2Sn (τ1), ZrCoSn (τ2), Zr6Co1.65Sn1.35 (τ3), and Zr5Co6Sn18 (τ4), are confirmed. It is shown that they exist at the solidus temperatures. The crystal structure of the compound τ4 is first established as Tb5Rh6Sn17-type (cF116-Fm-3m) with lattice parameter a =13.376(6) A. Only one ternary compound (ZrCo2Sn, τ1, Heusler phase) has a rather wide homogeneity range at solidus temperature (43.5–50 at.% Co along the 50Zr50Sn-Co ray). Binary compounds Zr5Sn3+x and ZrCo2 dissolve up to 9 at.% Co and 14.5 at.% Sn, respectively. All other compounds are practically linear phases. The above six phases define the character of the solidus projection, taking part in all three-phase equilibria, except for those with participation of Sn.

Phase relationships in the Nd-Ce-Fe ternary system at 773 K have been investigated mainly by x-ray diffraction and scanning electron microscopy with energy disperse spectroscopy techniques. The isothermal section consists of 6 single-phase regions, 7 two-phase regions and 3 three-phase regions. No ternary compound is observed in this system. Nd2Fe17 and Ce2Fe17 are found to form a continuous solid solution (Nd,Ce)2Fe17, and the solubilities of Ce in Nd5Fe17 and Nd in CeFe2 are determined.

In this study, the phase equilibria of the Cr-Mo-Hf ternary system at 1100 and 1300 °C were experimentally investigated by means of back-scattered electron, electron probe microanalysis and x-ray diffraction. The two C15 phases (α(HfMo2) and α(HfCr2)) link up with each other from Mo-Hf side to Cr-Hf side across the isothermal sections both at 1100 and 1300 °C. The isothermal section at 1300 °C consists of one three-phase region and three two-phase regions, while no ternary compound is found. One single-phase region of bcc(βHf) not connected with Mo-Hf binary boundary is found unexpectedly at 1100 °C, which results in the appearance of two extra three-phase regions.

The 600 and 800 °C isothermal sections of the Al-Ni-Sn ternary system were determined based on examination of equilibrated alloys by SEM spectroscopy and x-ray powder diffraction. Nine and Six three-phase regions exist in the Al-Ni-Sn system at 600 and 800 °C respectively. All the Al-Ni and Sn-Ni binary compounds except Al3Ni4 were confirmed at 600 °C, no ternary compound exists in Al-Ni-Sn system. The Ni3Sn2, Ni3Sn and AlNi3 phases show a large solubility of the third element. No ternary compound exists in Al-Ni-Sn system.

Calcium zirconium aluminate, Ca7ZrAl6O18, is only the ternary compound of CaO, Al2O3 and ZrO2 with hydration reactivity. Calcium zirconium aluminate is conventionally synthesized by a solid-state reaction processing using CaCO3, Al2O3 and ZrO2, as starting materials at temperatures exceeding 1400 °C. In the present study, Ca7ZrAl6O18 along with some admixture phases was prepared by modifying co-precipitation method using ammonia solution, NH3(aq) or saturated oxalate ammonium solution in concentrated ammonia solution, (NH4)2C2O4–NH3(aq) as a precipitation agent. Crystalline Ca7ZrAl6O18 phase was detected at relatively low temperature (~900 °C) together with other intermediate crystalline products. Formation of the final product of Ca7ZrAl6O18 powders, with CaZrO3 and Ca12Al14O33 as accessory phases, requires heat treatment at 1200 °C for 5 h. Two novel approaches for the synthesis of Ca7ZrAl6O18 affect its further hydration behaviour. Ca3 [Al(OH)6]2 or C3AH6 with a hitherto unknown rounded crystal habit was formed within the cement pastes made of Ca7ZrAl6O18, which was synthesized by the modifying co-precipitation method using (NH4)2C2O4–NH3(aq) as a precipitation agent.

Dual-cathode dc unbalanced magnetron sputtering for the deposition of ternary compound films with a high deposition rate was designed and constructed. It consists of two magnetrons of opposite magnetic polarities. Each magnetron consists of central and outer ring magnets with the residual inductions of 500 and 600 mT, respectively. The testing results of the system showed that high plasma volume could be created at a long substrate distance of about 15 cm from the targets. In addition, by using this sputtering system for coating TiAlN film, the result showed that at a target to substrate distance of 13 cm the film growth rate was 7.3 nm/min. It indicates that the sputtering system developed in this study is suitable for large substrate area coating due to the long distance of target to substrate.

The new ternary compound Y4Be33Pt16 was prepared from elements by arc melting, and its crystal structure was determined from single-crystal X-ray diffraction data (space group I4[combining macron]3d, a = 13.4849(3) A). The material is the first representative of a new structure type of complex intermetallic compounds and reveals a cage-like crystal structure. Analysis of chemical bonding by means of the electron localizabilty approach indicates ionic interaction of yttrium with the rest of the crystal structure, characteristic for cage compounds, in particular for clathrates. In contrast to the mostly two-centre bonding in the framework of clathrates, the new compound is characterized by a multi-centre interaction within the framework, caused by the demand of the valence electrons in the system. The non-centrosymmetric material enters the superconducting state at TC = 0.9 K.