Search Results (649)

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

The complex system of high-entropy materials makes it challenging to reveal the specific function of each site for oxygen evolution reaction (OER). Here, with nickel foam (NF) as the substrate, FeCoNiCrMo/NF is designed to be prepared by metal–organic frameworks (MOF) as a precursor under an argon atmosphere. XRD analysis confirms that it retains a partial MOF crystal structure (characteristic peak at 2θ = 11.8°) with amorphous carbon (peaks at 22° and 48°). SEM-EDS mapping and XPS demonstrate uniform distribution of Fe, Co, Ni, Cr, and Mo with a molar ratio of 27:24:30:11:9. Electrochemical test results show that FeCoNiCrMo/NF has excellent OER characteristics compared with other reference prepared samples. FeCoNiCrMo/NF has an overpotential of 285 mV at 100 mA cm⁻² and performs continuously for 100 h without significant decline. The OER mechanism of FeCoNiCrMo/NF further reveal that Co and Ni are true active sites, and the dissolution of Cr and Mo promote the conversion of active sites into MOOH following the lattice oxygen mechanism (LOM). The precipitation–dissolution equilibrium of Fe also plays an important role in the OER process. The study of different reaction sites in complex systems points the way to designing efficient and robust catalysts. Full article

A novel stainless steel with high Mn and Mo content (much higher than traditional stainless steel), designated CH241SS, was developed as a potential replacement for Cr-Mo-V alloy steel in the cold forging applications of precision industry. Through carbon reduction in an environmentally friendly manner and a two-stage heat treatment process, the hardness of as-cast CH241 was tailored from HRC 37 to HRC 29, thereby meeting the industrial specifications of cold-forged steel (≤HRC 30). X-ray diffraction analysis of the as-cast microstructure revealed the presence of a small amount of ferrite, martensite, austenite, and alloy carbides. After heat treatment, CH241 exhibited a dual-phase microstructure consisting of ferrite and martensite with dispersed Cr(Ni-Mo) alloy carbides. The CH241 alloy demonstrated excellent high-temperature stability. No noticeable softening occurred after 72 h for the second-stage heat treatment. Based on the mechanical and room-temperature tensile fatigue properties of CH241-F (forging material) and CH241-ST (soft-tough heat treatment), it was demonstrated that the CH241 stainless steel was superior to the traditional stainless steel 4xx in terms of strength and fatigue life. Therefore, CH241 stainless steel can be introduced into cold forging and can be used in precision fatigue application. The relevant data include composition design and heat treatment properties. This study is an important milestone in assisting the upgrading of the vehicle and aerospace industries. Full article

This study aims to investigate the release of potentially toxic elements from disposable paper and plastic cups when exposed to hot water, simulating the scenario of their use in hot beverage consumption, and to assess the associated health risks. By using ICP-MS, twelve potentially toxic elements, namely As, Ba, Cd, Co, Cr, Cu, Mn, Mo, Pb, Sb, V, and Zn, were determined in leachates, revealing significant variability in mass fractions between paper and plastic cups, with plastic cups demonstrating greater leaching potential. Health risk assessments, including hazard quotient (HQ) and excess lifetime cancer risk (ELCR), indicated minimal non-carcinogenic and carcinogenic risks for most elements, except Pb, which posed elevated non-carcinogenic risk, especially in plastic cups. Children showed higher relative exposure levels compared to adults due to their lower body weights (the HQ in children is two times greater than in adults). Overall, the findings of the current study underscore the need for stricter monitoring and regulation of materials used in disposable cups, especially plastic ones, to mitigate potential health risks. Future investigations should assess the leaching behavior of potentially toxic elements under conditions that accurately mimic real-world usage. Such investigations ought to incorporate a systematic evaluation of diverse temperature regimes, varying exposure durations, and different beverage types. Full article

The operational efficiency of the main steam pipelines at thermal power plants is reduced due to several factors, including operating temperature, pressure, service life, and the frequency of process shutdowns, which contribute to the degradation of heat-resistant steels. The study aims to identify the features of changes in the sizes of grains and carbides along their boundaries, as well as mechanical properties (hardness, strength, plasticity and fracture toughness) along the wall thickness of both pipes in the initial state and after operation with block shutdowns. Preliminary electrolytic hydrogenation of specimens (before tensile tests in air) showed even more clearly the negative consequences of operational degradation of steel. The degradation of steel was also assessed using fracture toughness (J_IC). The value of J_IC for operated steel with a smaller number of shutdowns decreased by 32–33%, whereas with a larger number of shutdowns, its decrease in the vicinity of the outer and inner surfaces of the pipe reached 65 and 61%, respectively. Fractographic signs of more intense degradation of steel after a greater number of shutdowns were manifested at the stage of spontaneous fracture of specimens by changing the mechanism from transgranular cleavage to intergranular, which indicated a decrease in the cohesive strength of grain boundaries. Full article

Hot work die steel is an alloy steel with good high-temperature performance, which is widely used in mechanical manufacturing, aerospace, and other fields. During the working process of hot working mold steel, it is subjected to high temperature, wear, and other effects, which can lead to a decrease in the surface hardness of the mold, accelerate surface damage, shorten the service life, and reduce the quality of the workpiece. In order to improve the wear resistance of the mold, this paper conducts two surface treatments, chrome plating and nitriding, on the surface of hot work mold steel, and compares the high-temperature wear behavior of the materials after the two surface treatments. The results indicate that the hot work die steel obtained higher surface hardness and wear resistance after nitriding surface modification. After nitriding treatment, the surface of hot work die steel contains ε phase (Fe_2–3N), which improves its surface hardness and wear resistance, thus exhibiting better surface hardness and wear resistance than the chrome-plated sample. In this study, the high-temperature wear behavior of hot work die steel after two kinds of surface strengthening treatments was deeply discussed, and the high-temperature wear mechanism of steel after surface strengthening was revealed. It provides a theoretical basis and experimental basis for the surface modification of hot working die steel, and also provides new ideas and methods for improving the service life and workpiece quality of hot working die steel in industrial production. In this study, the advantages and disadvantages of high-temperature wear resistance of hot working die steel after chromium plating and nitriding were systematically compared for the first time, which provided a scientific basis for the selection of surface strengthening technology of hot working die steel and had important academic value and practical application significance. Full article

During the service life of automotive panel stamping dies, the surface is often subjected to high loads and repeated friction, resulting in excessive wear. This leads to die failure, reduced machining accuracy, and decreased production efficiency. To enhance the anti-friction and wear-resistant performance of die steel surfaces, this study introduces the concept of biomimetic engineering in surface science. By mimicking microstructural configurations found in nature with outstanding wear resistance, biomimetic functional surfaces were designed and fabricated. Specifically, quadrilateral dimples inspired by the back of dung beetles, pentagonal scales from armadillo skin, and hexagonal scales from the belly of desert vipers were selected as biological prototypes. These surface textures were fabricated on Cr12MoV die steel using high-speed ball-end milling. Finite element simulations and dry sliding wear tests were conducted to systematically investigate the tribological behavior of surfaces with different dimple geometries. The results showed that the quadrilateral dimple surface derived from the dung beetle exhibited the best performance in reducing friction and wear. Furthermore, the milling parameters for this surface were optimized using response surface methodology. After optimization, the friction coefficient was reduced by 21.3%, and the wear volume decreased by 38.6% compared to a smooth surface. This study confirms the feasibility of fabricating biomimetic functional surfaces via high-speed ball-end milling and establishes an integrated surface engineering approach combining biomimetic design, efficient manufacturing, and parameter optimization. The results provide both theoretical and methodological support for improving the service life and surface performance of large automotive panel dies. Full article

Milk powder is a key nutritional alternative to breastfeeding, but its thermal properties, which vary with temperature, can affect its quality and shelf life. However, there is little information about the physical and chemical properties of powdered milk in several countries. This dataset contains the result of an analysis of the aflatoxins, macroelement and microelement concentrations, oxidative stability, and fatty acid profile of infant formula milk powder. The concentrations of Al, As, Ba, Cd, Co, Cr, Cu, Fe, Mg, Mn, Mo, Ni, Pb, Se, V, and Zn in digested powdered milk samples were quantified through inductively coupled plasma optical emission spectrometry (ICP OES). Thermogravimetry (TG) and differential scanning calorimetry (DSC) were used to estimate the oxidative stability of infant formula milk powder, while the methyl esters of the fatty acids were analyzed by gas chromatography. Most milk samples showed significant concentrations of As (0.5583–1.3101 mg/kg) and Pb (0.2588–0.0847 mg/kg). The concentrations of aflatoxins G2 and B2 are below the limits established by Brazilian regulatory agencies. The thermal degradation behavior of the samples is not the same due to their fatty acid compositions. The data presented may be useful in identifying compounds present in infant milk powder used as a substitute for breast milk and understanding the mechanism of thermal stability and degradation, ensuring food safety for those who consume them. 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

The eastern Junggar Basin in Xinjiang, China is a key coal-bearing region dominated by the Middle Jurassic Xishanyao Formation. Despite its significance as a major coal resource base, detailed paleoenvironmental reconstructions of its coal seams remain limited. This study investigates the B₁, B₂, B₃, and B₅ coal seams of the Xishanyao Formation using X-ray fluorescence spectroscopy (XRF) and inductively coupled plasma mass spectrometry (ICP-MS) to assess geochemical indicators of the depositional environment during coal formation. The results show that the coal samples are characterized by high inertinite content and low vitrinite reflectance, indicative of low-rank coal. Slight enrichment of strontium (Sr) was observed in the B₁, B₂, and B₅ seams, while cobalt (Co) showed minor enrichment in B₃. Redox-sensitive elemental ratios (Ni/Co, V/Cr, and Mo) suggest that the peat-forming environment ranged from oxidizing to dysoxic conditions, with relatively high oxygen availability and strong hydrodynamic activity. A vertical trend of increasing paleosalinity and a shift from warm–humid to dry–hot paleoclimatic conditions was identified from the lower (B₁) to upper (B₅) coal seams. Additionally, the estimated atmospheric oxygen concentration during the Middle Jurassic was approximately 28.4%, well above the threshold for wildfire combustion. These findings provide new insights into the paleoenvironmental evolution of the Xishanyao Formation and offer a valuable geochemical framework for coal exploration and the assessment of coal-associated mineral resources in the eastern Junggar Basin. Full article

The aim of the conducted research was to assess the impact of gypsum deposit development on changes in the radiation levels of the abiotic components of the environment. For this purpose, a study of the radioactivity of water, bottom sediment, soil, gypsum and loam samples was performed. Ground-based studies of the distribution of the values of the ambient dose equivalent rate of gamma radiation and radon flux density were also carried out. It was shown that due to the high solubility of gypsum, the degree of karstification of the territory increases under the influence of meteoric waters, and as a result of the intensification of anthropogenic impact, the degree of chemical weathering of rocks increases. This leads to a coordinated change in not only the chemical but also the radiation conditions. In particular, radioactive contamination of quarry waters and areas of increased radon flux density in soil air were established. In bottom sediments, the significant correlations of ¹³⁷Cs, ²³⁸U and ²³⁴U activity concentrations with carbonates, organic matter and soluble salts contents, as well as Fe, Zn, Cu, Cr, Pb, Ni, Mo, Cd, Co, Ti and V, indicate a significant role of the anthropogenic factor in the accumulation in bottom sediments. This factor is associated with both regional atmospheric transport (¹³⁷Cs) and the activity of the mining enterprise in the study area (²³⁸U and ²³⁴U). Full article

This study investigates the effects of B₄C content (2.5, 5, 7.5, and 10 wt.%) on the microstructure and wear resistance of laser cladding 316 stainless steel coatings on a 2Cr12MoV steel substrate. The coating was prepared by laser cladding technology. The phase composition, microstructure evolution, microhardness, and tribological properties of the coating were analyzed. The results show that the decomposition of B₄C particles is complete, and the phase composition of the coating includes Austenite, Fe₂₃ (B₃C₃), Cr₂₃ (B_1.5C_4.5), and a Fe-Ni solid solution. The increase in B₄C content significantly increased the microhardness of the material from 206 HV_0.2 (substrate) to 829 HV_0.2 (10 wt.% B₄C) by 4.02 times. Wear resistance also improved, with the 10 wt.% coating exhibiting the lowest wear rate (10 × 10⁻⁸ mm³/N·m) due to fine-grained and dispersion strengthening mechanisms. However, excessive B₄C (10 wt.%) induced cracks from increased brittleness, resulting in higher friction coefficients. The wear mechanism consists of fatigue wear, adhesive wear, and oxidative wear, and the degree of wear decreases with the increase in B₄C content. This work demonstrates that the addition of B₄C effectively improves the hardness and wear resistance of 316 stainless steel coatings, providing practical insights into surface engineering in high wear applications. Full article

This study systematically investigates the evolution of vacancy-type defects and heterogeneous Cu nanoprecipitates in an Fe₆₀Cr₁₂Mn₈Cu₁₅Mo₃V₂ (at%) multi-principal element alloy during thermal processing, utilizing Positron annihilation lifetime spectroscopy (PAS), coincidence Doppler broadening (CDB) spectroscopy, and transmission electron microscopy (TEM). The results show that the alloy exhibited a dual-phase coexistence structure of Body-Centered Cubic (BCC) and Face-Centered Cubic (FCC). The CDB results show that the density of heterogeneous Cu precipitates gradually increases with annealing temperature. Compared to the as-cast alloy, the precipitates annealed at 773 K exhibit a significantly reduced size (approximately 33 nm) with higher density. The PAS results demonstrate that gradual migration and aggregation of monovacancies at 573 K form vacancy clusters, while contraction and dissociation of these clusters dominate at 673 K. Within the temperature range of 773–973 K, the dynamic equilibrium between the aggregation and decomposition of vacancy clusters maintains stable annihilation characteristics with minimal lifetime changes. Full article

In this work, arc ion plating (AIP) was employed to deposit AlCrMoN coatings on cemented carbide substrates, and the effects of substrate bias voltages (−80 V, −100 V, −120 V, and −140 V) on the microstructures, mechanical properties, and tribological behaviors of the coatings were investigated. The results showed that all AlCrMoN coatings exhibited a single-phase face-centered cubic (FCC) structure with columnar crystal growth and excellent adhesion to the substrate. As the negative bias voltage increased, the grain size of the coatings first decreased and then increased, while the hardness and elastic modulus showed a trend of first increasing and then decreasing, with the maximum hardness reaching 36.2 ± 1.33 GPa. Room-temperature ball-on-disk wear tests revealed that all four coatings demonstrated favorable wear resistance. The coating deposited at −100 V exhibited the lowest average friction coefficient of 0.47 ± 0.02 and wear rate ((3.27 ± 0.10) × 10⁻⁸ mm³/(N∙m)), featuring a smooth wear track with minimal oxide debris. During the steady-state wear stage, the dominant wear mechanisms of the AlCrMoN coatings were identified as oxidative wear combined with abrasive wear. Full article

Controlling multiple phases by adjusting elemental ratios and applying heat treatments effectively balances the strength and ductility of refractory high-entropy alloys. In this study, five types of V-Ti-Cr-Nb-Mo alloys were designed by varying the contents of V, Ti, and Nb, followed by annealing at 1200 °C for 8 h. The alloys’ crystal structures, microstructure evolution, and mechanical properties were systematically investigated. The V-Ti-Cr-Nb-Mo alloys exhibited a typical dendritic structure with a dual-phase (BCC + HCP) matrix. When the Nb content was maintained at 35 at.% with increasing V content, the volume fraction of the HCP phase increased, and the C14 Laves phase emerged. The as-cast alloy V₁₅Ti₃₀Cr₅Nb₃₅Mo₁₅, with a triple-phase (BCC + HCP + Laves) structure, exhibited excellent mechanical properties, including a compressive strength of 1775 MPa and a ductility of 18.2%. After annealing, the HCP phase coarsened and partially dissolved, the Laves phase precipitation reduced, and while the hardness and strength decreased, the ductility improved significantly. The annealed alloy V₅Ti₃₅Cr₅Nb₄₀Mo₁₅, with a dual-phase (BCC + HCP) structure, achieved a ductility of 26.9% under a compressive strength of 1530 MPa. This work demonstrates that multi-phase refractory high-entropy alloys can significantly enhance the strength–ductility synergy, providing an experimental foundation for the compositional design and performance optimization of refractory high-entropy alloys. Full article