Search Results (35)

The synthesis and characterization of MgO-ZrO₂ heterostructures are examined in this work. To promote the creation of nanowires, the Si substrate is first covered with a catalyst layer of various Au thicknesses. Sputtering is used to achieve this deposition. After that, chemical vapor deposition (CVD) with a Au catalyst layer is used to create MgO nanowire arrays on the silicon substrate. Second, MgO/ZrO₂ Core–shell Nanowire Arrays are created by applying ZrO₂ layers to the surface of MgO nanowires of different diameters using chemical vapor deposition (CVD) procedures. The presence of both magnesium oxide (MgO) and zirconium dioxide (ZrO₂) in their oxidized forms was shown by the detailed characterization of the MgO-ZrO₂ core–shell nanowire samples utilizing a variety of methods. Phase formation, mechanical homogeneity, optical characteristics, and topographical structure and roughness were all thoroughly examined at various stresses. MgO hardness values ranged from 1.4 to 3.2 GPa, whereas MgO-ZrO₂ ranged from 0.38 to 1.2 GPa. The I–V parameter study was a further step in the examination of the heterostructure’s electrical properties. The structural, morphological, optical, mechanical, and electrical properties of the MgO-ZrO₂ heterostructure were all thoroughly described using these techniques. Full article

This paper presents the results of an investigation into the effect of the physicochemical properties of carbon chars (biochars) on the performance of direct carbon solid oxide fuel cells (DC-SOFCs). Biochars were obtained from walnut, coconut, pistachio, hazelnut and peanut shells by pyrolysis at a temperature of 850 °C. The results of structural studies conducted using X-ray diffraction and Raman spectroscopy reflected a low degree of graphitisation of carbon particles. Biochar derived from walnut shells is characterised by a relatively uniform content of alkali elements, such as sodium, potassium, calcium, magnesium and iron, which are natural components of the mineral residue and act as catalysts for the Boudouard reaction. This study of gasification of biochar samples in a CO₂ atmosphere recorded that the highest conversion rate from solid phase to gaseous phase was for the biochar sample produced from walnut shells. The superior properties of this sample are directly connected to structural features, as well as to the random distribution of alkali elements. DC-SOFCs involving 10 mol% of Sc₂O₃, 1 mol% of CeO₂, 89 mol% of ZrO₂ (10S1CeZ) or 8 mol% of Y₂O₃ in ZrO₂ (8YSZ) were used as both solid oxide electrolytes and components of the anode electrode. It was found that the highest electrochemical power output (P_max) was achieved for DC-SOFCs fuelled by biochar from walnut shells, with around 103 mW/cm² obtained for such DC-SOFCs involving 10S1CeZ electrolytes. Full article

In this study, the results of transmission electron microscopy (TEM) examinations of neutron-irradiated (2.5 dpa at 150 °C, 350 °C, and 450 °C) CuCrZrV and ODS(Y₂O₃)-Cu alloys are presented. These materials were developed for application as heat sink materials in fusion technology. This study includes TEM imaging and quantitative analysis of neutron radiation-induced defects such as dislocation loops and voids as well as the determination of the conditions for their formation. It was found that dislocation loops of a₀½⟨110⟩ type form in both alloys at all irradiation temperatures. The formation of voids in CuCrZrV alloy is effectively suppressed. The neutron irradiation causes a redistribution of Cr, Zr, and V in the CuCrZrV alloy. A particular focus was on the investigation of the distribution of the transmutation products Ni and Zn. Ni tends to segregate at the Cr-rich clusters and forms a shell around them, while Zn is evenly distributed. Full article

The influence of processing procedures and microstructural features on the functional properties of relaxor ferroelectric ceramics are of fundamental interest and directly relevant to their applications in dielectric capacitors and electromechanical sensors/actuators. In the present work, solid solutions of 0.65(K_0.5Bi_0.5)TiO₃-0.35(Ba_0.94Ca_0.06)(Ti_0.93Zr_0.07)O₃ (0.65KBT-0.35BCZT) were processed by solid-state reaction using two different procedures, distinguished in terms of mixed or separate calcination of the KBT and BCZT components and leading to homogeneous or core-shell-type relaxor ferroelectric ceramics, respectively. Systematic research was conducted on the impact of the processing techniques and air-quenching procedures on the structure and ferroelectric and electromechanical properties. Higher remanent polarization of the separately calcined materials was ascribed to the ferroelectric nature of the core regions, along with the non-ergodic relaxor ferroelectric response in the shell, which was enhanced by the quenching process. It was also demonstrated that the thermal depolarization temperature increased significantly after quenching, from ~100 to ~160 °C for the separately calcined ceramic, and from ~50 to ~130 °C for the mixed material; moreover, these effects are linked to notable improvements in the ferroelectric tetragonal phase content by air-quenching. Full article

In a previous study, we developed an integrated reaction system combining NH₃ decomposition and CO₂ methanation within a membrane reactor, significantly enhancing reactor performance through efficient H₂ separation. Ru/Ba/γ-Al₂O₃ and Ru/ZrO₂ were employed as catalysts for each reaction. To ensure the accuracy and reliability of our results, they were validated through 1D models using FlexPDE Professional Version 7.21/W64 software. Key parameters such as reactor arrangement, catalyst bed positioning, overall heat transfer coefficient, rate constants, and H₂ permeance were investigated to optimize system efficiency. The study revealed that positioning the NH₃ decomposition on the shell side and CO₂ methanation on the tube side resulted in a better performance. Additionally, shifting the methanation catalyst bed downward by approximately one-eighth (10 mm from 80 mm) achieves the highest CO₂ conversion. A sensitivity analysis identified the rate constant of the NH₃ decomposition catalyst and the H₂ permeance of the membrane as the most influential factors in enhancing CO₂ conversion. This highlights the priority of improving membrane H₂ permeance and catalytic activity for NH₃ decomposition to maximize system efficiency. Full article

The investment casting of titanium and its alloys relies on a high resistance of the crucibles and shell molds in terms of temperature and reactivity. The availability of ceramic crucibles that offer sufficient resistance to the titanium melt enables vacuum induction melting (VIM). CaZrO₃ prepared from a mixture of CaO and ZrO₂ as a raw material for refractory ceramics shows a high corrosion resistance against metallic melts even under very high temperatures up to 1800 °C. Crucibles and shell molds of CaZrO₃ were successfully produced and used in subsequent casting trials. This study is focused on the refractory crucibles suitable for casting Ti-6Al-4V (Ti-64) using a tilt casting machine. In order to evaluate the crucible reaction and, therefore, the quality of the castings, chemical analyses, investigations of the microstructures and hardness measurements were carried out. Careful control of the melting duration is mandatory to avoid crucible reactions that otherwise result in contamination of the cast with oxygen and zirconium. This was achieved by modified coil geometries. Under optimized casting conditions, the oxygen and zirconium impurity limits of ASTM B367-09 for titanium castings were met. Based on the correlations found, optimized casting parameters with regard to material quantity, coil geometry and heating power could be determined in order to provide guidance for a high-quality casting process with VIM. Full article

Recent research into sodium zirconate as a high-temperature CO₂ sorbent has been extensive, but detailed knowledge of the material’s crystal structure during synthesis and carbon dioxide uptake remains limited. This study employs neutron diffraction (ND), thermogravimetric analysis (TGA), and X-ray diffraction (XRD) to explore these aspects. An improved synthesis method, involving the pre-drying and ball milling of raw materials, produced pure samples with average crystal sizes of 37–48 nm in the monoclinic phase. However, using a slower heating rate (1 °C/min) decreased the purity. Despite this, the 1 °C/min rate resulted in the highest CO₂ uptake capacity (4.32 mmol CO₂/g Na₂ZrO₃) and CO₂ sorption rate (0.0017 mmol CO₂/g) after 5 min at 700 °C. This was attributed to a larger presence of microstructure defects that facilitate Na diffusion from the core to the shell of the particles. An ND analysis showed that the conversion of Na₂ZrO₃ was complete under the studied conditions and that CO₂ concentration significantly impacts the rate of CO₂ absorption. The TGA results indicated that the reaction rate during CO₂ sorption remained steady until full conversion due to the absorptive nature of the chemisorption process. During the sorbent reforming step, ND revealed the disappearance of Na₂O and ZrO₂ as the zirconate phase reformed. However, trace amounts of Na₂CO₃ and ZrO₂ remained after the cycles. Full article

Although 4Ce4YSZ has high corrosion resistance, it faces challenges concerning its sinterability and ionic conductivity. Therefore, we studied destabilization behavior caused by corrosion and oxygen vacancy ordering according to ZnO doping. Powders of (4Ce4YSZ)_1−x(ZnO)_x (x = 0.5, 1, 2, 4 mol%) were synthesized using the sol-gel method. With the addition of ZnO, the cubic phase increased, and secondary phases were not observed. The (111) peak showed a higher angle shift in ZnO-doped 4Ce4YSZ compared to 4Ce4YSZ, and TEM-SAED revealed a reduction in the spacing of the (011)t plane, suggesting lattice contraction due to the substitution of the smaller Zn²⁺ (60 Å) for Zr⁴⁺ (84 Å) in the lattice. The local atomic structure analysis was conducted using EXAFS to investigate the oxygen vacancy ordering behavior. Zr K-edge Fourier transform data revealed a decrease in the Zr-O1 peak intensity with an increasing amount of ZnO doping, indicating an increase in oxygen vacancies. The Zr-O1 peak position shifted to the right, leading to an increase in the Zr-O1 interatomic distance. In the Y K-edge Fourier transform data, the Y-O1 peak intensity did not decrease, and there was little variation in the Y-O1 interatomic distance. These results suggest that the oxygen vacancies formed due to ZnO doping are located in the neighboring oxygen shell of Zn, rather than in the neighboring oxygen shells of Y and Zr. Impedance measurements were conducted to measure the conductivity, and as the amount of ZnO doping increased, the total conductivity increased, while the activation energy decreased. The increase in oxygen vacancies by ZnO doping contributed to the enhancement of conductivity, and it is considered that these created oxygen vacancies did not interact with Zn²⁺ and did not form defect associations. Fluoride-based molten salts were introduced to the specimens to assess the corrosion behavior in a molten salt environment. Yttrium depletion layers (YDLs) were formed on the surfaces of all specimens due to the leaching of yttrium. However, Ce remained relatively stable at the interface according to EDS line scans, suggesting a reduction in the phase transformation (cubic, tetragonal to monoclinic) typically associated with yttrium leaching in YSZ. Full article

In this work, three melt-pouring temperatures (1450 °C, 1480 °C, 1520 °C) and CoAl₂O₄ inoculant contents in the shell mold’s primary coating (0 wt%, 5 wt%, and 10 wt%) were selected to study microstructural and mechanical property changes of the Inconel 713C^® nickel-based superalloy. The castings’ phase transformation temperatures, phase constitution, microstructure, and mechanical properties at room and elevated temperatures were investigated via thermodynamical simulations, differential thermal analysis, light and scanning electron microscopy, energy-dispersive X-ray spectroscopy, and tensile and stress-rupture tests. The pouring temperature and inoculant content strongly influenced the mean equiaxed grain size, which ranged between 2.36 and 6.55 mm. The primary microstructure of Inconel 713C^® castings, owing to its complex chemical composition, comprised multiple phases, including γ, γ’, MC, M₃B₂, and Ni₇Zr₂. The mean size of γ’ was in the 0.446–0.613 μm range, depending on the casting variant. Grain refinement with CoAl₂O₄ at ambient temperature for each melt-pouring temperature led to increased yield strength (YS) and ultimate tensile strength (UTS). YS was in the range of 775–835 MPa, while UTS was in the range of 868–1010 MPa. A reverse trend was observed in samples that crept in 982 °C/152 MPa, while for each variant, the time to rupture exceeded 30 h. The maximum time to rupture was 46.1 h obtained in the unmodified casting poured at 1480 °C. Full article

This Special Issue includes 12 research papers on the development of various materials for adsorbing different contaminants in water, such as Sb, Cr(VI), Cu(II), Zn(II), fluorine, phenol, dyes (indigo carmine, Congo red, methylene blue, and crystal violet), and drugs (dlevofloxacin, captopril, and diclofenac, and paracetamol). The commercial, natural, and synthetic materials used as adsorbents comprise commercial activated carbon, natural clay and montmorillonite, biosorbent based on sugarcane bagasse or algal, graphene oxide, graphene oxide-based magnetic nanomaterial, mesoporous Zr-G-C₃N₄ nanomaterial, nitrogen-doped core–shell mesoporous carbonaceous nano-sphere, magnetic Fe-C-N composite, polyaniline-immobilized ZnO nanorod, and hydroxy-iron/acid–base-modified sepiolite composite. Various operational conditions are evaluated under batch adsorption experiments, such as pH, NaCl, solid/liquid ratio, stirring speed, contact time, solution temperature, initial adsorbate concentration. The re-usability of laden materials is evaluated through adsorption–desorption cycles. Adsorption kinetics, isotherm, thermodynamics, and mechanisms are studied and discussed. Machine learning processes and statistical physics models are also applied in the field of adsorption science and technology. Full article

Iron-based soft magnetic composites (SMCs) are the key components of high-frequency electromagnetic systems. Selecting a suitable insulating oxide layer and ensuring the integrity and homogeneity of the heterogeneous core–shell structure of SMCs are essential for optimizing their magnetic properties. In this study, four types of SMCs—Fe-Si-Cr/ZrO₂, Fe-Si-Cr/TiO₂, Fe-Si-Cr/MgO, and Fe-Si-Cr/CaO—were prepared via ball milling, followed by hot-press sintering. The differences between the microscopic morphologies and magnetic fproperties of the Fe-Si-Cr/AO_x SMCs prepared using four different metal oxides were investigated. ZrO₂, TiO₂, MgO, and CaO were successfully coated on the surface of the Fe-Si-Cr alloy powders through ball milling, forming a heterogeneous Fe-Si-Cr/AO_x core–shell structure with the Fe-Si-Cr alloy powder as the core and the metal oxide as the shell. ZrO₂ is relatively hard and less prone to breakage and refinement during ball milling, resulting in a lower degree of agglomeration on the surface of the composites and prevention of peeling and collapse during hot-press sintering. When ZrO₂ was used as the insulation layer, the magnetic dilution effect was minimized, resulting in the highest resistivity (4.2 mΩ·cm), lowest total loss (580.8 kW/m³ for P_10mt/100kHz), and lowest eddy current loss (470.0 kW/m³ for P_{ec 10mt/100kHz}), while the permeability stabilized earlier at lower frequencies. Full article

The High Speed High Pressure Torsion (HSHPT) is the severe plastic deformation method (SPD) designed for the grain refinement of hard-to-deform alloys, and it is able to produce large, rotationally complex shells. In this paper, the new bulk nanostructured Ti-Nb-Zr-Ta-Fe-O Gum metal was investigated using HSHPT. The biomaterial in the as-cast state was simultaneously compressed up to 1 GPa and torsion was applied with friction at a temperature that rose as a pulse in less than 15 s. The interaction between the compression, the torsion, and the intense friction that generates heat requires accurate 3D finite element simulation. Simufact Forming was employed to simulate severe plastic deformation of a shell blank for orthopedic implants using the advancing Patran Tetra elements and adaptable global meshing. The simulation was conducted by applying to the lower anvil a displacement of 4.2 mm in the z-direction and applying a rotational speed of 900 rpm to the upper anvil. The calculations show that the HSHPT accumulated a large plastic deformation strain in a very short time, leading to the desired shape and grain refinement. Full article

This research has been conducted to characterize and validate resistive heating as a synthesis method for zirconium oxides (ZrO₂). A wire of Zr has been oxidized to form a core–shell structure, in which the core is a metal wire, and the shell is an oxide layer that is around 10 μm thick. The characterization of the samples has been performed by means of several techniques based on Scanning Electron Microscopy (SEM). The topography images show that thermal gradient appears to have little influence on morphology, unlike time, which plays an important role. The chemical composition was analyzed by X-ray spectroscopy (EDX) and X-ray diffraction (XRD), and Raman spectroscopy has been used to assess crystallinity and crystal structure. The oxide layer is mainly formed by monoclinic ZrO₂, alongside other, less significant, phases. Photoluminescence (PL) and cathodoluminescence (CL) measurements have allowed us to study the distribution of defects along the shell and to confirm the degree of uniformity. The oxygen vacancies, either as isolated defects or forming complexes with impurities, play a determinant role in the luminescent processes. Color centers, mainly electron centers such as F, F_A and F_AA, give rise to several visible emissions extending from blue to green, with main components at around 2 eV, 2.4–2.5 eV and 2.7 eV. The differences between PL and CL in relation to distinct recombination paths are also discussed. Full article

TiO₂ photocatalysts can provide carbon-capture utilization and storage by converting atmospheric CO₂ to green hydrogen, but the efficiency of the current photocatalysts is still too low for economical usage. Anatase TiO₂ is effective in transferring the electrons and holes produced by the photoelectric effect to reactants because of its oxygen-terminated surfaces. However, the anatase TiO₂ bandgap is 3.2 eV, which requires photons with wavelengths of 375 nm or less to produce electron–hole pairs. Therefore, TiO₂ is limited to using a small part of the solar spectrum. Strain engineering has been used to design ZrO₂@TiO₂ core@shell structures with large strains in the TiO₂ shell, which reduces its bandgap but maintains octahedral facets for charge separation and oxygen-terminated surfaces for the catalysis of reactants. Finite element analysis shows that shell thicknesses of 4–12 nm are effective at obtaining large strains in a large portion of the shell, with the largest strains occurring next to the ZrO₂ surface. The c-axis strains for 4–12 nm shells are up to 7%. The strains reduce the bandgap in anatase TiO₂ up to 0.35 eV, which allows for the use of sunlight with wavelengths up to 421 nm. For the AM 1.5 standard spectrum, electron–hole pair creation in 4 nm thick and 10 nm thick TiO₂ shells can be increased by a predicted 25% and 23%, respectively. The 10 nm thick shells provide a much larger volume of TiO₂ and use proportionally less ZrO₂. In addition, surface-plasmon resonators could be added to further extend the usable spectrum and increase the production of electron–hole pairs many-fold. Full article

It is difficult to observe the nucleation mechanism of inclusions in real-time. In this study, the nucleation process of zirconium oxide inclusions was systematically studied by classical nucleation theory and first principles. Zr deoxidized steel with 100 ppm Zr addition was processed into metallographic samples for scanning electron microscopy energy-dispersive spectroscopy observation. The electrolytic sample was analyzed by micro X-ray diffraction and transmission electron microscopy, and the zirconium oxide in the sample was determined to be ZrO₂. The nucleation rate and radius of the ZrO₂ inclusions were calculated by classical nucleation theory, and they were compared with the experimental values. There was a considerable difference between the experimental and theoretical values of the nucleation rate. The effect of the nucleation size was analyzed by first-principles calculation, and the thermodynamic properties of ZrO₂ clusters and nanoparticles were analyzed by constructing (ZrO₂)_n (n = 1–6) clusters. The thermodynamic properties of ZrO₂ calculated by first principles were consistent with the values in the literature. Based on two-step nucleation theory, the nucleation pathway of ZrO₂ is as follows: Zr_atom + O_atom → (ZrO₂)_n → (ZrO₂)₂ → core (ZrO₂ particle)–shell ((ZrO₂)₂ cluster) nanoparticle → (ZrO₂)_bulk. Full article