To investigate the effect of acidic nanoparticles on proton conductivity, permeability and fuel cell performance, a commercial Nafion® 117 membrane was impregnated with zirconium phosphates (ZrP) and sulfated zirconium (S-ZrO2) nanoparticles. The tensile test, water uptake, methanol crossover, Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Thermal gravimetric analysis (TGA) and Scanning Electron Microscopy (SEM) were used to assess the ca-pacity of nanocomposite membrane to function in a fuel cell. The modified Nafion® membrane obtained the higher water uptake and a lower water content angle than the commercial Nafion® 117 membrane, indicating that it has a greater impact on conductivity. Under strain rates of 40, 30 and 20 mm/min, the nanocomposite membranes demonstrate more stable thermal deterioration and higher mechanical strength, which offers tremendous promise for fuel cell applications. When compared to 0.113 S/cm and 0.013 S/cm, respectively, of commercial Nafion® 117 and Nafion® ZrP membranes, the modified Nafion® membrane with ammonia sulphate acid had the highest proton conductivity of 7.891 S/cm. When tested using a direct single cell methanol fuel cell, it had the highest power density of 183 m. cm-2 which is better than commercial Nafion® 117 and Nafion® ZrP membranes.

Using number theory, a formula is obtained that describes the thermal conductivities of ZrC, UC, UN, ThN, ZrN and Th_xU_1-xN at x = 0.2 and 0.5 with temperature change. This formula contains the atomic numbers of the elements, the thermal conductivities of the individual elements of the substance, and the structural parameter. There is no direct dependence on temperature in the formula, since it is hidden in the thermal conductivities of each element and in the structure parameter. In some temperature ranges, the structural parameter is constant; therefore, the thermal conductivity of some carbides and nitrides is expressed through summing the thermal conductivities of individual elements.

In this study, methyl/tbutyl salicylate bearing zirconium complexes (C1-C8) were prepared by reaction of zirconium (IV) propoxide/butoxide with salicylic acid, 3-methylsalicylic acid, 4-methylsalicylic acid, and 3,5-di-tert-butylsalicylic acid in alcohols, respectively. All these complexes (C1-C8) were characterized by 1H-NMR, 13C-NMR, FTIR, mass spectroscopy (MS), elemental, and thermogravimetric analyses (TGA). These complexes were utilized as catalysts in ring opening polymerization (ROP) of ε-caprolactone and were very effective. Polycaprolactone (PCL) was characterized by 1H-NMR, 13C-NMR, and gel permeation chromatography (GPC). In this study, perhaps for the first time, the effects of electron donating substituents (Me and tBu) on ε-caprolactone polymerization reactions on salicylate ligands linked to zirconium atoms were investigated.

Thermal processing of Zr-loaded ion-exchangers is a facile route to synthetize (ZrO2, ZrC)@C composites. The chemical character of the functional groups in the cation exchanger is an essential factor in the composition and properties of the (ZrO2, ZrC)@C composites. In the present paper furnace and RF-thermal plasma processing of ZrOCl2 loaded thiourea-functionalized styrene-divinylbenzene copolymer was investigated that led to various composites containing ZrO2 and ZrC. Depending on the synthesis conditions, different ZrO2@C composites were formed between 1000 and 1400 °C in 2 h, whereas the composite containing ZrC was created at 1400 °C in 8 h. The ratio of ZrO2/ZrC, the prevailing ZrO2 modifications, and the crystallite sizes strongly depend on the synthesis conditions. The ZrC-containing composites formed only at 1400 °C in 8 hours and by the plasma treatment of the ZrO2@C sample prepared in the furnace, resulting in 8 and 16% ZrC content, with 44 and 41 nm ZrC crystallite sizes, respectively. The ZrO2-containing composites (tetragonal, monoclinic, and cubic modifications with 65–88 nm ZrO2 crystallite sizes and 15–43 m2/g BET surface areas, depending on the carbonization temperature) formed in a tube furnace between 1000 and 1400 °C in 2 h. The tube furnace–prepared sample formed at 1400 °C in 8 h contained ZrC, ZrO2 modifications, and amorphous carbon, whereas the plasma-treated sample contained ZrC, ZrO2 modifications, and graphite. All ZrO2@C composites had both amorphous carbon and graphite, and their ratio is temperature-dependent. The carbonaceous compounds of the prepared composites were characterized by Raman spectroscopy, with analysis of the G and D band intensities. XPS studies showed the surface oxidation of ZrC.

The present study was aimed at revealing the influence of the mechanical stress induced by water molecules adsorption on the composition of crystalline phases in the ZrO2–3mol%Y2O3-nanoparticles. Three basic methods have been used to determine the phase transition: neutron diffraction, Raman microspectroscopic scanning, and X-ray diffraction. The fact of phase-structural β → α transformation and the simultaneous presence of two polymorphic structural modifications (β is the phase of the tetragonal syngony and α of monoclinic syngony in nanosized particles (9nm)) under normal physical conditions was established by these methods. Satisfactory consistency was achieved between the results obtained using different techniques.

This study investigates the synthesis and characterization of zirconium oxide (ZrO₂)-based metal-composites doped with cerium (Ce) and yttrium (Y), using chromium (Cr) and nickel (Ni) as base metals. These constituents were selected for their superior mechanical properties and compatibility with the ceramic phase. High-purity powders were homogenized via high-energy ball milling, followed by cold isostatic pressing (CIP) and sintering in a controlled atmosphere. The sintering process was conducted at various temperatures (850°C to 1350°C) to examine densification, grain growth, and microstructure evolution. Scanning Electron Microscopy (SEM) revealed a homogeneous distribution of phases, with distinct microstructural features attributed to each element at different sintering temperatures. Density measurements using the water immersion method and theoretical calculations demonstrated increased density and reduced porosity with higher sintering temperatures. Vickers hardness testing indicated that hardness improved with increased sintering temperature, peaking around 1150°C due to cerium and yttrium reinforcement within the matrix. Flexural strength tests showed the highest value at 1350°C, with a significant drop in porosity, suggesting enhanced mechanical properties due to efficient doping and phase transformations. Overall, the incorporation of cerium and yttrium significantly improved the mechanical behavior and phase stability of the ZrO₂-Cr-Ni composites, highlighting their potential for advanced engineering applications.

The aim of the experiment was to determine the effect of strontium oxide addition on zirconium silicate recrystallization when adding strontium oxide to the glaze composition. Zirconia glazes (4 different contents) were prepared to which strontium oxide was added in amounts of 0, 1, 3, 6, and 12 mass%. SrO. The characteristic temperatures of the raw glazes were measured, based on which the maximum firing temperatures were determined. The fired glazes were subjected to study of the phase composition and observation of the microstructure. Analysis of the characteristic temperatures showed a fluxing effect, but it was not as strong for all glazes. Differences in the amount of the crystalline phase of zirconium silicate obtained in fired glazes and the partial transition of zirconium silicate to the amorphous phase were observed. Observations of the microstructure clearly indicated an increase in the homogeneity of the distribution of zirconium silicate.

The aluminum alloys are prominently employed in the automotive, defense and aerospace industries owing to their excellent properties as compared to that of other metals and alloys. The present work has been centered on the synthesis and the evaluation of mechanical properties of cast and heat treated Al7475-Zirconium carbide composites. The composites were prepared by stir casting method. In order to enhance the properties, Al7475 alloy and Al7475-Zirconium carbide composite were subjected to a T6 heat treatment. The microstructural analysis and tensile, compression, impact and hardness tests were performed on the as-cast as well as T6 heat treated composite specimens. The microstructure of as-cast and heat treated Al7475-Zirconium carbide composite has revealed that the matrix of Al7475 alloy consisted of uniformly dispersed Zirconium carbide particles. The scanning electron microscopy image of heat-treated composite showed a decrease in grain size due to heat treatment effect, resulting in an increase in the strength of the composite. The mechanical properties of heat-treated Al7475-Zirconium carbide composite are superior compared to the as-cast composite. The ultimate tensile strength, yield strength, compression strength, impact strength and hardness of heat treated composite are 16.8%, 15.5%, 18.7%, 18.75% & 22.3% respectively higher than that of as-cast composite.

Samples of ZrO2 ceramics with different concentrations of impurity titanium ions were synthesized by mixing powders of zirconium and titanium oxides in various mass ratios. The phase composition and surface morphology of the studied ceramics were determined by X-ray phase analysis and scanning electron microscopy. It was found that irradiation of samples with xenon ions (220 MeV) with fluences 1010 and 1012 ion/cm2 leads to a decrease in the intensity of the pulse cathodoluminescence band at 2.5 eV. It is shown that ion irradiation causes the appearance of a new peak of thermoluminescence at 450-650 K of a non-elementary form associated with radiation-induced traps of charge carriers. In contrast to electron irradiation, an increase in the fluence of ions leads to a decrease in the intensity of this peak. In contrast to electron irradiation, an increase in the fluence of ions leads to a decrease in the intensity of this peak. A complex nonmonotonic dependence of the cathode and thermoluminescence intensity on the dopant concentration was found, which may be due to the effects of concentration quenching and aggregation of defective centers.

The process of Thermal spray is effective for creating a metal matrix composite (MMC) by embedding zirconium diboride reinforcement into a molybdenum matrix. This allows for the combination of beneficial properties in a new composite, as both materials have a high The materials Mo and ZrB2 possess different characteristics. For example, Mo has a melting point of 2622 ◦C while ZrB2 has a higher melting point of 3246 ◦C. Additionally, Mo has a high thermal conductivity of 139 W/m◦C compared to ZrB2's thermal conductivity of 24 W/m◦C. However, both materials have good thermal shock resistance, and Mo has a low coefficient of thermal expansion of 5.35 µm/m◦C while ZrB2 has a coefficient of thermal expansion of 5.8 × 10−6 K−1., as well as the ability to maintain strength at elevated temperatures and stability in extreme environments. The study focused on creating Mo/Zrb2 composites using a thermal spray coating technique, varying the parameters of spraying distance, number of passes, and gas pressure, and testing the resulting castings to evaluate their hardness and Young's Modulus. The primary objective of the research was to use the Taguchi technique for identifying the optimal parameters for generating the highest Young's Modulus and hardness for the castings. The Taguchi method integrates experimental and analytical principles to identify the most significant parameter affecting the response, which can significantly enhance overall performance. The study found that the optimal parameters were a spraying distance of 20 cm, gas pressure of 6 bar, and the number of passes of 18. The Taguchi method accurately predicted the parameters that produced the highest properties for the composite coatings, which demonstrated good surface formation without hot cracks and fewer pores, with well-formed metallurgical bonding between the coating and the substrate.

The dimensional effect of the accumulation of an electric charge with a density of up to 270 μF/g by the system of compacted zirconium dioxide nanoparticles during exposure in an electric field (5000 V/m) under normal physical conditions is determined. Based on a qualitative complex analysis of the forms of appearance of the effect, it is shown that the place of localization of different charge carriers is the surface of nanoparticles. The supposed mechanism of this effect is considered using the theory of dispersed systems, the band theory, and the theory of contact phenomena in semiconductors. It was concluded that this mechanism is due to the phenomenon of localization of electron-type charge nanoparticles in the near-surface zone of the material in contact with the adsorption ion atmosphere. This effect is relevant for modern nanoelectronics, microsystem technology, and printed electronics.

The article presents the results of testing the conditions of closing foundry voids during the hot forging operation of an ingot made of zirconium with 1% Nb alloy and use of the physical and numerical modelling, which is a continuation of research presented in a previous thematically related article published in the journal Materials. The study of the impact of forging operation parameters on the rheology zirconium with 1% Nb alloy was carried out on the Gleeble 3800 device. Using the commercial FORGE®NxT 2.1 program, a numerical analysis of the influence of thermo-mechanical parameters of the hot elongation operation in trapezoidal flat and rhombic trapezoidal anvils on the closure offoundry voids was performed. The analysis of the obtained test results was used to formulate recommendations on the technology of hot forging and the geometry of anvils, which ensure the closure foundry voids during the operation of hot forging

Currently, one of the biggest issues when developing an ODS alloy is the competition established between the different oxide precursors during the precipitation of oxides which nature depends on their chemical composition. In the presence of various precursors, usually the one with the highest affinity to oxygen leads to the absence of the other oxides. In this work, a new process to equilibrate the local concentration of species and to decrease the competition among them is explained. A unique compound, containing the diverse oxide precursors as one complex oxide, is introduced in a prealloyed 14Cr Steel powder via mechanical alloying. Thus, generating environments enriched in Y, Ti and Zr which, after consolidation, refine the oxides precipitation improving the thermal stability of the alloy. SPS were used as consolidation technique to guarantee shorter sintering times and to maintain the nanostructure obtained. Mechanical properties were tested by tensile tests and Vickers microhardness.

After 40 years of the discovery of metallocene catalysts, there are still several aspects that remain unresolved, especially when the “conventional” alkylaluminum activators are not used. Herein, we systematically investigate the synthesis of PE via three different zirconocene catalysts, with different alkyl substituents, activated via different organoboron compounds. The polymerization behavior, as well as the properties of the materials, are evaluated. The results demonstrate that the highest catalytic activity is shown by Bis(cyclopentadienyl)dimethylzirconium activated by trityl tetra(pentafluorophenyl)borate. Also finding that toluene is the optimum solvent for these systems and at these reaction conditions. Moreover, to validate our experimental results, a comprehensive mathematical model is developed on the basis of thermodynamic and kinetic principles. The concentration of ethylene transferred to the solvent phase (toluene) in a liquid-vapor equilibrium (LVE) system is estimated based on the Duhem’s theorem. Arrhenius expressions for the kinetic rate constants of a proposed kinetic mechanism are estimated by a kinetic model, in which the rate of polymerization is fitted by a least-square optimization procedure and the molecular weight averages by the method of moments. The simulations of the coordination polymerization suggest the presence of two types of active sites, principally at low temperatures, and the reactivation of the deactivated sites via a boron-based activator. However, the effect of the temperature on the reactivation step is no clear; a deeper understanding via designed experiments is required.

The effect of Zr addition on the melting temperature of the CoCrFeMnNi High Entropy Alloy (HEA), known as the “Cantor’s Alloy”, is investigated, together with its microstructure, mechan-ical properties and thermo-mechanical recrystallization process. The base and Zr-modified al-loys are obtained by vacuum induction melting of mechanically pre-alloyed powders followed by recrystallization. The alloys were characterized by X-ray diffraction, scanning and transmis-sion electron microscopy, thermal analyses, mechanical spectroscopy and indentation measures. The main advantages of Zr addition are: 1) a fast vacuum induction melting (VIM) process; 2) the lower melting temperature, due to Zr eutectics formation with all the Cantor’s alloy elements; 3) the good chemical alloy homogeneity; 4) the mechanical properties improvement of recrystallized grains with a coherent structure. The crystallographic lattice of both alloys resulted to be FCC. Results demonstrate that the Zr-modified HEA presents a higher recrystallization temperature and smaller grain size after recrystallization with respect to the Cantor’s alloy, with precipita-tion of a coherent second phase which enhance the alloy hardness and strength, while maintaining a good tensile ductility.

Zirconium based bulk metallic glasses are industrially valuable materials which commercial market grows rapidly. Surface modification of these metallic glasses by high-intensity lasers is relatively new and costly treatment promising great advantages over classical surface processing methods. In this work we perform the case study of surface modification of Zr$_{46}$Cu$_{36.8}$Ag$_{9.2}$Al$_8$ metallic glass by high-intensity millisecond laser beam. Our results suggest chemical deposition of atmospheric oxygen and nitrogen in the laser-melted surface area and its surroundings. Zirconium nitride layer was detected in the middle of laser-irradiated area. Nanocrystals embedded in the amorphous matrix were also formed on the surface. Overall, our findings suggest possibilities for improvement of mechanical characteristics of the studied metallic glass.

In this study, we considered the structural stability, electronic properties, and phonon dispersion of the cubic (c-ZrO₂), tetragonal (t-ZrO₂), and monoclinic (m-ZrO₂) phases of ZrO₂. We found that the monoclinic phase of zirconium dioxide is the most stable among the three phases in terms of total energy, lowest enthalpy, highest entropy, and other thermodynamic properties. The smallest negative modes were found for m-ZrO₂. Our analysis of the electronic properties showed that during the m–t phase transformation of ZrO₂, the Fermi level first shifts by 0.125 eV toward higher energies and then decreases by 0.08 eV in the t–c cross-section. The band gaps for c-ZrO₂, t-ZrO₂, and m-ZrO₂ are 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the influence of doping 3.23, 6.67, 10.35, and 16.15 mol. %Y₂O₃ onto the m-ZrO₂ structure showed that the enthalpy of m-YSZ decreases linearly, which accompanies further stabilization of monoclinic ZrO₂ and an increase in its defectiveness. A doping-induced and concentration-dependent phase transition in ZrO₂ under the influence of Y₂O₃ was discovered, due to which the position of the Fermi level changes and the energy gap decreases. It has been established that, not only for pure systems but including those doped with Y₂O₃, the main contribution to the formation of the conduction band is made by the p-states of electrons. The t-ZrO₂ (101) and t-YSZ (101) surface models were selected as optimal surfaces for water adsorption based on a comparison of their surface energies. An analysis of the mechanism of water adsorption on the surface of t-ZrO₂ (101) and t-YSZ (101) showed that H₂O on unstabilized t-ZrO₂ (101) is adsorbed dissociatively with an energy of -1.22 eV, as well as by the method of molecular chemisorption with an energy of - 0.69 eV and the formation of a hydrogen bond with a bond length of 1.01 Å. In the case of t-YSZ (101), water is molecularly adsorbed onto the surface with an energy of -1.84 eV. Dissociative adsorption of water occurs at an energy of -1.23 eV, near the yttrium atom. The results show that ab initio approaches are able to describe the mechanism of doping-induced phase transitions in (ZrO₂+Y₂O₃)-like systems, based on which it can be assumed that DFT calculations can also flawlessly evaluate other physical and chemical properties of YSZ, which have not yet been studied quantum chemical research. The obtained results complement the database of research works carried out in the field of the application of biocompatible zirconium dioxide crystals and ceramics in green energy generation and can be used in designing humidity-to-electricity converters and creating solid oxide fuel cells based on ZrO₂.

In this study, we considered the structural stability, electronic properties, and phonon dispersion of the cubic (c-ZrO₂), tetragonal (t-ZrO₂), and monoclinic (m-ZrO₂) phases of ZrO₂. We found that the monoclinic phase of zirconium dioxide is the most stable among the three phases in terms of total energy, lowest enthalpy, highest entropy, and other thermodynamic properties. The smallest negative modes were found for m-ZrO₂. Our analysis of the electronic properties showed that during the m–t phase transformation of ZrO₂, the Fermi level first shifts by 0.125 eV toward higher energies and then decreases by 0.08 eV in the t–c cross-section. The band gaps for c-ZrO₂, t-ZrO₂, and m-ZrO₂ are 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the influence of doping 3.23, 6.67, 10.35, and 16.15 mol. %Y₂O₃ onto the m-ZrO₂ structure showed that the enthalpy of m-YSZ decreases linearly, which accompanies further stabilization of monoclinic ZrO₂ and an increase in its defectiveness. In this case, the position of the Fermi level changes abruptly, and the energy gap decreases. It has been established that, not only for pure systems but including those doped with Y₂O₃, the main contribution to the formation of the conduction band is made by the p-states of electrons. The t-ZrO₂ (101) and t-YSZ (101) surface models were selected as optimal surfaces for water adsorption based on a comparison of their surface energies. An analysis of the mechanism of water adsorption on the surface of t-ZrO₂ (101) and t-YSZ (101) showed that H₂O on unstabilized t-ZrO₂ (101) is adsorbed dissociatively with an energy of -1.22 eV, as well as by the method of molecular chemisorption with an energy of - 0.69 eV and the formation of a hydrogen bond with a bond length of 1.01 Å. In the case of t-YSZ (101), water is molecularly adsorbed onto the surface with an energy of -1.84 eV. Dissociative adsorption of water occurs at an energy of -1.23 eV, near the yttrium atom. The obtained results complement the database of research works carried out in the field of the application of biocompatible zirconium dioxide crystals and ceramics in green energy generation and can be used in designing humidity-to-electricity converters and creating solid oxide fuel cells based on ZrO₂.

The article focuses on the galvanic replacement synthesis of Ti-Ni and Zr-Ni metal systems with the "core-shell" structure which are potential precursors for intermetallics. The authors defined the effective synthesis parameters and the formation features of polymetallic systems character-ized by granulometric, phase and elemental composition. The X-ray fluorescence and X-ray phase analysis methods showed that the deposition of nickel on dispersed titanium and zirconium leads to the production of test samples with phase composition representing a mechanical mixture of Ni and Ti, Ni and Zr. The method of X-ray fluorescence analysis showed that the presence of hy-drofluoric acid with a 0.5-1.5 M concentration results in the formation of fixed quantitative ratios of elements in the precipitate, which allows the quantitative composition of dispersed systems "titanium - nickel", "zirconium - nickel" to be regulated within a relatively wide range. Scanning electron microscopy proved that all synthesized systems are characterized by a highly porous structure that follows the titanium and zirconium particle surface contour and the presence of spherical nanoscale subunits on the formed particle surface.

BioPBS is gaining attention in the biodegradable polymer market due to their promising properties such as high biodegradability and processing versatility representing a potential sustainable replacement for fossil oil-based commodities. However, there is still a need to enhance its properties for certain applications, being aesthetical and mechanical properties a challenge. The aim of the present work is to improve these properties by adding selected additives that will confer bioPBS with comparable properties to that of current counterparts such as polypropylene (PP) for specific applications in the automotive and household appliances sectors. A total of thirteen materials have been studied and compared, being twelve biocomposites containing combinations of three different additives: a commercial red colourant, itaconic acid (IA) to enhance colour fixation and zirconia (ZrO2) nanoparticles to maintain at least native PBS mechanical properties. Results show that the combination of IA and the colouring agent tends to slightly yellowish the blend due to the absorbance spectra of IA and also to modify the gloss due to the formation of IA nanocrystals that affects light scattering. In addition, for low amounts of IA (4wt.%), young modulus seems to be kept while elongation at break is even raised. Unexpectedly, a strong aging affect was found after 4 weeks. IA increases the hydrophilic behaviour of the samples and thus seems to accelerate the hydrolisation of the matrix, which is accompanied by an accused disaggregation of phases and an overall softening and rigidization effect. The addition of low amounts of ZrO2 (2wt.%) seems to provide the desired effect for hardening the surface while almost not affecting the other properties; however, higher amounts tends to form aggregates saturating the compounds. As a conclusion, IA might be a good candidate for colour fixing in biobased polymers.