Search Results (251)

In this study, we present a comprehensive theoretical analysis of modifications in the physical and chemical properties of MoSe₂ upon the introduction of substitutional transition metal impurities, specifically, Ti, V, Cr, Fe, Co, Ni, Cu, W, Pd, and Pt. Wet systematically calculated the adsorption enthalpies for various representative analytes, including O₂, H₂, CO, CO₂, H₂O, NO₂, formaldehyde, and ethanol, and further evaluated their free energies across a range of temperatures. By employing the formula for probabilities, we accounted for the competition among molecules for active adsorption sites during simultaneous adsorption events. Our findings underscore the importance of integrating temperature effects and competitive adsorption dynamics to predict the performance of highly selective sensors accurately. Additionally, we investigated the influence of temperature and analyte concentration on sensor performance by analyzing the saturation of active sites for specific scenarios using Langmuir sorption theory. Building on our calculated adsorption energies, we screened the catalytic potential of doped MoSe₂ for CO₂-to-methanol conversion reactions. This paper also examines the correlations between the electronic structure of active sites and their associated sensing and catalytic capabilities, offering insights that can inform the design of advanced materials for sensors and catalytic applications. Full article

This article provides a comprehensive overview of recent studies concerning laser heat treatment (LHT) of structural and tool steels, with particular attention to the 21NiCrMo2 steel used for carburized gear wheels. Analysis includes the influence of critical laser processing conditions—including power output, motion speed, spot size, and focusing distance—on surface microhardness, hardening depth, and microstructure development. The findings indicate that the energy density is the dominant factor that affects the outcomes of LHT. Optimal results, in the form of a high surface microhardness and a sufficient depth of hardening, were achieved within the energy density range of 80–130 J/mm², allowing for martensitic transformation while avoiding defects such as melting or cracking. At densities below 50 J/mm², incomplete hardening occurred with minimal microhardness improvement. On the contrary, densities exceeding 150–180 J/mm² caused surface overheating and degradation. For carburized 21NiCrMo2 steel, the most effective parameters included 450–1050 W laser power, 1.7–2.5 mm/s scanning speed, and 2.0–2.3 mm beam diameter. The review confirms that process control through energy-based parameters allows for reliable prediction and optimization of LHT for industrial applications, particularly in components exposed to cyclic loads. Full article

An analysis of the working surfaces of cylindrical gears after scuffing shock tests allowed for the assessment of the effect of loading conditions on the form of damage to the tooth surfaces. Unlike the method of scuffing under severe conditions, where loading is applied gradually, the presented tests employed direct maximum loading—shock loading—without prior lapping of the gears under lower loads. This loading method significantly increases the vulnerability of the analyzed components to scuffing, enabling an evaluation of their limit in terms of operational properties. To identify the changes and the types of the teeth’s working surface damage, the following microscopy techniques were applied: scanning electron microscopy (FE-SEM) with EDS microanalyzer, optical interferential profilometry (WLI), atomic force microscope (AFM), and optical microscopy. The results allowed us to define the characteristic damage mechanisms and assess the efficiency of the applied DLC coatings when it comes to resistance to scuffing in shock scuffing conditions. Tribological tests were performed by means of an FZG T-12U gear test rig in a power circulating system to test cylindrical gear scuffing. The gears were made from 18CrNiMo7-6 steel and 35CrMnSiA nano-bainitic steel and coated with W-DLC/CrN. Full article

This article presents a review of the composition optimization progress of nickel-based single crystal (SC) superalloy design in recent years in order to obtain better high-temperature performance for the development of the aviation industry. The influence of alloying elements on the creep resistance, microstructure characteristics, oxidation resistance, castability, density, and cost of superalloys is analyzed and discussed. In order to obtain better high-temperature performance, the content of refractory elements (Ta + Re + W + Mo) and Co was increased gradually. The addition of Ru was added in the fourth-generation nickel-based SC superalloy to stabilize the microstructures and suppress the precipitation of the topologically close-packed (TCP) phase. However, the content of the antioxidant element Cr significantly decreased, while the synergistic effect of Al, Cr, and Ta received more attention. Therefore, synergistic effects should also receive more attention to meet the practical needs of reducing the content of refractory elements to reduce costs and density in future single crystal alloy designs without compromising critical performance. Full article

Na₀.₈₉Co_0.90Me_0.10O₂ (Me = Cr, Ni, Mo, W, Pb, and Bi) ceramic samples were prepared using a solid-state reaction method, and their crystal structure, microstructure, and electrical, thermal, and thermoelectric properties were investigated. The effect of the nature of the doping metal (Me = Cr, Ni, Mo, W, and Bi) on the structure and properties of layered sodium cobaltite Na_0.89CoO₂ was analyzed. The largest Seebeck coefficient (616 μV/K at 1073 K) and figure-of-merit (1.74 at 1073 K) values among the samples studied were demonstrated by the Na_0.89Co_0.9Bi_0.1O₂ solid solution, which was also characterized by the lowest value of the dimensionless relative self-compatibility factor of about 8% within the 673–873 K temperature range. The obtained results demonstrate that doping of layered sodium cobaltite by transition and heavy metal oxides improves its microstructure and thermoelectric properties, which shows the prospectiveness of the used doping strategy for the development of new thermoelectric oxides with enhanced thermoelectric characteristics. It was also shown that samples with a higher sodium content (Na:Co = 0.89:1) possessed higher chemical and thermal stability than those with a lower sodium content (Na:Co = 0.55:1), which makes them more suitable for practical applications. Full article

This work studies the fabrication of CoCrFeNiMo high-entropy alloy (HEA) coatings via coaxial powder-fed laser cladding, addressing porosity and impurity issues in conventional methods. The HEA coatings exhibited eutectic/hypereutectic microstructures under all laser power conditions. A systematic investigation of laser power effects (1750–2500 W) reveals that 2250 W optimizes microstructure and performance, yielding a dual-phase structure with FCC matrix and dispersed σ phases (Fe-Cr/Mo-rich). The coating achieves exceptional hardness (738.3 HV_0.2, 3.8× substrate), ultralow wear rate (4.55 × 10⁻⁵ mm³/N·m), and minimized corrosion current (2.31 × 10⁻⁴ A/cm²) in 3.5 wt.% NaCl. The friction mechanism of the CoCrFeNiMo HEA coating is that in high-speed friction and wear, the oxide film is formed on the surface of the coating, and then the rupture of the oxide film leads to adhesive wear and abrasive wear. The corrosion mechanism is the galvanic corrosion caused by the potential difference between the FCC phase and the σ phase. Full article

The reactions of N-heterocyclic carbenes (IMesNHC and IPrNHC) with transition metal carbonyls of group VI (Cr(CO)₆, Mo(CO)₆, and W(CO)₆) were carried out in acetonitrile in simple one-pot syntheses and led to the formation of the coordination compounds IMesNHC–Cr(CO)₅ (1a), IMesNHC–Mo(CO)₅ (2a), IMesNHC–W(CO)₅ (3a), IPrNHC–Cr(CO)₅ (1b), IPrNHC–Mo(CO)₅ (2b), and IPrNHC–W(CO)₅ (3b). With the exception of 1b, the coordination compounds were formed selectively and in high yields. The method represents an effective and easy-to-perform alternative to the previously described methods for NHC–M(CO)₅ (M = Cr, Mo, W). All prepared compounds were characterized by NMR and Raman spectroscopy. Compounds 1a, 2a, 3a, and 2b were also crystallized and structurally characterized by X-ray structure analysis. Finally, the structural features of all compounds were compared with DFT calculations of structurally optimized coordination compounds. Full article

22MnCrNiMo steel, a high-strength low-alloy material, is primarily used in the production of mooring chains for offshore oil platforms, offshore wind turbines, and ships. The application of additive manufacturing technology allows for the direct fabrication of seamless mooring chains. This paper investigates the selective laser melting (SLM) process parameters for 22MnCrNiMo mooring chain steel, analyzing the effects of different process parameters on the microstructure, phase composition, and mechanical properties of the steel. The experimental results demonstrate that under the laser parameters of 200 W laser power, 800 mm/s scanning speed, 30 μm layer thickness, and 110 μm scanning spacing, the SLM-formed parts exhibit the best comprehensive mechanical properties, with a microhardness of 513.2 HV0.5, a tensile strength of 1223 MPa, a yield strength of 1114 MPa, an elongation of 8.5%, and an impact energy of 127 J. This study reveals the microstructure evolution and the mechanism of enhanced mechanical properties in SLM-fabricated 22MnCrNiMo steel, providing a new approach for the preparation of high-performance mooring chains using 22MnCrNiMo steel. Full article

Wood ash, a byproduct of woody biomass power generation, has potential as an alternative K fertilizer due to its high K content and pH-raising properties. However, concerns remain about heavy metal contaminants like Cr and the limited understanding of element dynamics in soil–solution–crop systems after wood ash’s application. This study examined the effects of 1% (w/w) wood ash on element dynamics and komatsuna (Brassica rapa var. perviridis) uptake in low-K soil through a pot experiment. XRD was used to analyze mineral composition, SEM-EDS to observe surface and elemental properties, and XANES to examine Cr speciation in wood ash. Soil solution analysis covered macro- and micronutrients, heavy metals, anions, pH, and DOC, while crop element concentrations and aboveground dry weight were also quantified. The chemical speciation of Cu and Cr in a soil solution was modeled using Visual MINTEQ. Wood ash significantly increased K concentrations (from 17 mg/L to 650 mg/L) in the soil solution, along with Ca, Mg, P, and Mo, while reducing Ni, Mn, Zn, and Cd levels. Komatsuna K uptake surged from 123 mg/kg to 559 mg/kg, leading to a 3.31-fold biomass increase. Notably, the Cd concentration in the crops dropped significantly from 0.709 to 0.057 mg/kg, well below the Codex standard of 0.2 mg/kg. Although Cu and Cr concentrations rose in the soil solution, crop uptake remained low due to >99% complexation with fulvic acid, as confirmed by Visual MINTEQ modeling. This study confirms that wood ash is an effective K fertilizer, but emphasizes the need for risk mitigation strategies to ensure safe and sustainable agricultural application. Full article

In this paper, the wear characteristics of 20GrNi2MoV bearing steel under different working conditions were investigated by finite element simulation considering microscopic grain size and pin-on-disk friction experiments, and the wear mechanism during friction and wear was explained, along with a finite element model that took initial grain size and material organization into account to predict the process of subsurface crack initiation during friction. The results show that high-speed and large-load conditions have a significant effect on the wear characteristics of dry friction of pinned disks. The effect of high speed and load will greatly reduce the time of the grinding stage, and the friction coefficient can quickly reach a stable state; the roughness of the surface of the friction pair increases with the increase in load, but the roughness shows a tendency to first increase and then decrease with the increase in sliding speed. Martensitic phase transformation occurs in the friction subsurface, and the decrease in Mn element content is one of the causes of cracks on the subsurface of the material; with the increase in load and speed, the damage form of the sample disk material is changed from abrasive wear and adhesive wear to the mixture of three kinds of wear: abrasive wear, adhesive wear, and cracks. In addition, the simulation of crack initiation and growth agrees well with the experiment, which proves the accuracy of crack prediction. This study provides a reference for crack initiation prediction in the study of pinned disk friction vises. Full article

Scaling up the production of TiAl turbine wheels for passenger car turbochargers requires the fabrication of thin blades that are similar to those of nickel-based superalloys. To achieve this, the molten metal fillability and impact resistance of thin blades must be improved. In this study, the effects of composition on these properties are predicted using simple laboratory experiments with binary, ternary, and practical alloys and are then verified with actual turbine wheels. The melt fillability of the turbine wheel blade is predicted using the amount of molten metal passing through an Al₂O₃-1%SiO₂ mesh. The binary alloy exhibits the best fillability, which is reduced by the addition of Cr and Si. Charpy impact tests on as-cast materials at 25 and 850 °C show that the addition of Cr and Mn improves the impact resistance, but the addition of Nb, W, Mo and Si reduces it. Therefore, the molten metal fillability and/or impact resistance of practical TiAl alloys containing such additives owing to other requirements are low and require improvement for use in thin-blade turbine wheel applications. Full article

The original Glancing Angle Deposition (GLAD) technique was developed using the evaporation process, i.e., in high vacuum, with a nearly punctual source, and with the substrate aligned with the source axis. In this specific case, the substrate tilt angle can be assumed to be equal to the impinging incidence angle of evaporated atoms. With the sputtering process, the deposition pressure is higher, sources are larger, and substrates are not intrinsically aligned with the source. As a result, deviations from the growth models applied for evaporation are reported, and the substrate tilt angle is no longer relevant for describing the impinging atomic flux. To control the inclined nanostructure of metallic films, a relevant description of the atomic flux is required, applicable across all deposition configurations. In this work, transport simulation is used to determine the resultant incidence angle, a unique criterion relevant to each specific deposition condition. The different representations of the flux are described and discussed, and some typical examples of the resultant angles are presented. Ten elements are investigated: three hcp transition metals (Ti, Zr, and Hf), six bcc transition metals (V, Nb, Ta, Cr, Mo, and W), and one fcc post-transition metal (Al). Full article

In this work, we present results on the impact of electron beam surface modification on the phase composition, microstructure, chemical composition, and mechanical properties of Fe-Ni-Cr-Mo-W high-entropy alloy. During the experiments, the beam power was 600 and 1200 W. The phase composition was studied using XRD measurements. Scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS) were used to analyze the microstructure and chemical composition, respectively. The results showed that at the lower value of the power of the electron beam, a distinguished modified zone cannot be observed. With an increase in the discussed technological parameter, a treated zone with a thickness of about 30 μm can be seen on the top of the sample. The modulus of elasticity on the surface of the unprocessed alloy was measured to be 130 GPa and increased to 156 GPa in the case of both technological regimes of the electron beam surface modification process. The hardness on the top of the untreated alloy was about 4.5 GPa and reduced to about 3 GPa in the case of electron beam treatment on the alloy with a beam power of 600 W. The application of the modification process with a higher value of beam power, 1200 W, led to an even further decrease in the hardness, to about 2.8 GPa. The resistance to plastic deformation of the surface of the considered specimens was also analyzed via the H³/E² ratio, and the results show that the application of the treatment procedure leads to a decrease in the resistance to plastic deformation in both cases. This decrease is more pronounced in the case of the treatment with the higher value of power of the electron beam. Full article

High-entropy silicide (MeSi₂) coating was prepared by the slurry method and silicon infiltration method using Mo, Cr, Ta, Nb, W, and Si elemental powders as raw materials. The coating consisted of four layers, including a porous MeSi₂ layer, a (CrTa)Si layer, a TaSi₂ layer, and a Ta₅Si₃ layer from outside to inside. At 600 °C, Si was preferentially oxidized to form SiO₂ oxide film. The mass gain rate of the coating was 0.2 mg/cm² over a period of 100 h oxidation, eliminating the phenomenon of low-temperature pulverization. At 1200 °C, MeSi₂ coating had a protection time of 20 h. During the oxidation process, the coating generated metal oxides, forming a thin SiO₂ oxide film. TaSi₂ and Ta₅Si₃ gradually transformed into Ta₂O₅, and the coating eventually failed. Full article

A set of samples from the Monte Castelo kaolin deposits (Burela, NW Spain), corresponding to igneous acidic rocks affected by chemical weathering with variable intensity have been investigated in order to establish the mineralogical and chemical changes with weathering, and the micro- and nano-scale textures developed. For the study, XRD, FESEM, HRTEM and chemical analyses have been used. The more intense the weathering, the more the dissolution of aluminosilicates (albite, K feldspars and K micas) and the crystallization of kaolinite is favored. Kaolinite grows, forming booklets and generating a fine-grained matrix and, along the cleavages of muscovite, forming mica–kaolinite intergrowths. Bidimensional crystallographic continuity between mica and kaolinite has been observed and no intermediate phases have been identified as a consequence of the high W/R ratio. Kaolin mainly contains kaolinite with high crystallinity; however, when there are quartz impurities, they interfere with the ‘optimal’ reflections for the calculation of the Hinckley index. In this case, the use of the AGFI index almost eliminates the effect that the relative intensities of the quartz and feldspar impurities may have on those of kaolinite. With weathering, there is a progressive decrease in the contents of most chemical elements, except Al, TiO₂, HREEs, Ta, Hf, Th, U, V, Cr, S, Zr, Mo and Sn. Full article