Search Results (1,237)

This study synthesized FeNiCuAlX high-entropy alloys (HEAs) (where X = Cr, Co, Mn) using arc melting and investigated their high-temperature oxidation behavior in air at 900 °C. The oxidation kinetics of all alloys followed a parabolic rate, with the oxidation rate constants (kp) of FeNiCuAlCr, FeNiCuAlCo, and FeNiCuAlMn being approximately two to three orders of magnitude lower than that of the FeNiCu alloy. Specifically, FeNiCuAlCr exhibited the lowest kp value of 1.72 × 10⁻⁶ mg²·cm⁴/s, which is significantly lower than those of FeNiCuAlCo (3.29 × 10⁻⁶ mg²·cm⁴/s) and FeNiCuAlMn (1.71 × 10⁻⁵ mg²·cm⁴/s). This suggests that the addition of chromium promotes the formation of a dense Al₂O₃/Cr₂O₃ oxide layer, significantly enhancing the oxidation resistance. Furthermore, corrosion resistance was assessed through potentiodynamic polarization and electrochemical impedance spectroscopy in a 3.5% NaCl solution. FeNiCuAlCr demonstrated exceptional resistance to localized corrosion, as indicated by its low corrosion current density (45.7 μA/cm²) and high pitting potential (−0.21 V), highlighting its superior corrosion performance. Full article

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

South Dongting Lake is an essential aquatic ecosystem that receives substantial water inflows from the Xiangjiang and Zishui Rivers. However, it is significantly impacted by human activities, including mining, smelting, and farming. These activities have led to serious contamination of the lake’s sediments with heavy metals (HMs). This study investigated the distribution, mobility, and influencing factors of HMs at the sediment–water interface. To this end, sediment samples were analyzed from three key regions (Xiangjiang River estuary, Zishui River estuary, and northeastern South Dongting Lake) using traditional sampling methods and Diffusive Gradients in Thin Films (DGT) technology. Analysis of fifteen HMs (Pb, Bi, Ni, As, Se, Cd, Sb, Mn, Zn, V, Cr, Cu, Tl, Co, and Fe) revealed significant spatial heterogeneity. The results showed that Cr, Cu, Pb, Bi, Ni, As, Se, Cd, Sb, Mn, Zn, and Fe exhibited high variability (CV > 0.20), whereas V, Tl, and Co demonstrated stable concentrations (CV < 0.20). Concentrations were found to exceed background values of the upper continental crust of eastern China (UCC), Yangtze River sediments (YZ), and Dongting Lake sediments (DT), particularly at the Xiangjiang estuary (XE) and in the northeastern regions. Speciation analysis revealed that V, Cr, Cu, Ni, and As were predominantly found in the residual fraction (F4), while Pb and Co were concentrated in the oxidizable fraction (F3), Mn and Zn appeared primarily in the exchangeable fractions (F1 and F2), and Cd was notably dominant in the exchangeable fraction (F1), suggesting a high potential for mobility. Additionally, DGT results confirmed a significant potential for the release of Pb, Zn, and Cd. Contamination assessment using the Pollution Load Index (PLI) and Geoaccumulation Index (Igeo) identified Pb, Bi, Ni, As, Se, Cd, and Sb as major pollutants. Among these, Bi and Cd were found to pose the highest risks. Furthermore, the Risk Assessment Code (RAC) and the Potential Ecological Risk Index (PERI) highlighted Cd as the primary ecological risk contributor, especially in the XE. The study identified sediment grain size, pH, electrical conductivity, and nutrient levels as the primary influencing factors. The PMF modeling revealed HM sources as mixed smelting/natural inputs, agricultural activities, natural weathering, and mining/smelting operations, suggesting that remediation should prioritize Cd control in the XE with emphasis on external inputs. Full article

The topic of environmental pollution by petroleum products is highly relevant due to rapid urbanisation, including industrial development, road infrastructure and fuel distribution. Potential threat areas include refineries, fuel stations, pipelines, warehouses and transshipment bases, as well as sites affected by accidents or fuel spills. This study aimed to determine whether organic and mineral materials could mitigate the effects of diesel oil pollution on the soil’s trace element content. The used materials were compost, bentonite and calcium oxide. Diesel oil pollution had the most pronounced effect on the levels of Cd, Ni, Fe and Co. The levels of the first three elements increased, while the level of Co decreased by 53%. Lower doses of diesel oil (2.5 and 5 cm³ per kg of soil) induced an increase in the levels of the other trace elements, while higher doses caused a reduction, especially in Cr. All materials applied to the soil (compost, bentonite and calcium oxide) reduced the content of Ni, Cr and Fe. Compost and calcium oxide also increased Co accumulation in the soil. Bentonite had the strongest reducing effect on the Ni and Cr contents of the soil, reducing them by 42% and 53%, respectively. Meanwhile, calcium oxide had the strongest reducing effect on Fe and Co accumulation, reducing it by 12% and 31%, respectively. Inverse relationships were recorded for Cd (mainly bentonite), Pb (especially compost), Cu (mainly compost), Mn (mainly bentonite) and Zn (only compost) content in the soil. At the most contaminated site, the application of bentonite reduced the accumulation of Pb, Zn and Mn in the soil, while the application of compost reduced the accumulation of Cd. Applying various materials, particularly bentonite and compost, limits the content of certain trace elements in the soil. This has a positive impact on reducing the effect of minor diesel oil pollution on soil properties and can promote the proper growth of plant biomass. 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

Graphene, a remarkable two-dimensional material, enhances the mechanical properties of high-entropy alloys as a reinforcing phase. This study investigated the influence of vacancy defects in graphene on the strengthening effect of FeNiCrCoCu high-entropy alloy through molecular dynamics simulations. The findings reveal that vacancy defects diminish graphene’s strength, resulting in its premature failure. In tensile tests, graphene with defects lowers the yield stress of the composite, yet it retains the ability to impede dislocations. Conversely, graphene exhibits a more pronounced strengthening effect during compression. Specifically, when the deletion of C atoms is less than 1%, the impact is negligible; between 1% and 6%, the strengthening effect diminishes; and when it surpasses 6%, the strengthening effect virtually ceases to exist. This research offers a theoretical foundation for optimizing graphene-reinforced composites. Full article

Novel high-entropy perovskite oxide powders were synthesized using a sol-gel process. The B-site contained five cations: chromium, cobalt, iron, manganese, and nickel. The B-site cations were present on an equiatomic basis. The A-site cation was lanthanum, with calcium doping. The amount of A-site doping varied from 0 to 30 at%, yielding a composition of La_1−xCa_x(Co_0.2Cr_0.2Fe_0.2Mn_0.2Ni_0.2)O_3−δ. The resulting perovskite powders were pressurelessly sintered in air at 1400 °C for 2 h. Sintered densities were measured, and the grain structure was imaged via scanning electron microscopy to investigate the effect of doping. Samples were cut and polished, and their resistance was measured at varying temperatures in air to obtain the electrical conductivity and the mechanism that governs it. Plots of electrical conductivity as a function of composition and temperature indicate that the increased configurational entropy of the perovskite materials has a demonstrable effect. Full article

Stainless steel dust (SSD) is a by-product generated during the smelting process of stainless steel, which is rich in valuable metals such as Fe, Cr, Ni, and Mn. To optimize the carbothermic reduction process of SSD, this study first conducted the thermodynamic analysis of the carbothermic reduction of SSD and then employed walnut shell biochar as a reductant with non-isothermal thermogravimetric analysis with linear heating rates of 5 °C/min, 10 °C/min, 15 °C/min, and 20 °C/min. The activation energies of the carbothermic reduction reactions were calculated using the FWO method, KAS method, and Friedman method, respectively. Subsequently, the corresponding kinetic models were fitted and matched using the Málek method. The results indicate that before 600 °C, the direct reduction of SSD by carbon plays a dominant role. As the temperature increases, the indirect reduction becomes the main reduction reaction for SSD due to the generation of CO. The activation energies calculated by the Flynn–Wall–Ozawa (FWO) method, Kissinger–Akahira–Sunose (KAS) method, and Friedman method are 412.120 kJ/mol, 416.930 kJ/mol, and 411.778 kJ/mol, respectively, showing close values and a general trend of increasing activation energy as the conversion rate increased from 10% to 90%. Moreover, the reduction reaction is staged. In the conversion range of 10% to 50%, the carbothermic reduction reaction conforms to the shrinking core model within phase boundary reactions, coded as R1/4. In the conversion range of 50% to 60%, it conforms to the shrinking core model within phase boundary reactions, coded as R1/2; in the conversion range of 60% to 90%, the carbothermic reduction reaction follows the second-order chemical reaction model, coded as F2. Full article

In recent years, interest in HEAs has increased exponentially due to their extraordinary properties, especially for wear- and corrosion-resistant applications. However, the main problem involves correctly selecting the HEA composition required for a specific application, as most of the data are scattered throughout the literature, and only a limited number of models accurately predict the properties. Therefore, a database of 415 HEA alloys (bulk) and coatings obtained using thermal spray (TS) techniques has been created, compiled from scientific studies over the past 20 years. This tool collects information on physical, mechanical, and chemical properties, with a particular emphasis on corrosion and wear resistance. This facilitates material comparison and selection according to the needs of a specific application. In particular, the database highlights how composition and deposition technique also affect performance, identifying CoCrFeNi (CGS and in bulk) as a promising candidate for simultaneous wear and corrosion resistance. Full article

This study investigates the microstructural evolution, mechanical behavior, and electrochemical performance of CoCrFeNiNb and CoCrFeNiV HEAs fabricated via mechanical alloying and spark plasma sintering. Microstructural analyses reveal that the alloys have a face-centered cubic (FCC) matrix with Nb-enriched Laves and V-enriched σ phases. The CoCrFeNiNb HEA exhibits superior compressive strength and hardness than CoCrFeNiV due to uniform Laves phases distribution. Fracture surface analysis reveals that at lower sintering temperatures, the fracture is primarily caused by incomplete particle bonding, whereas at higher temperatures, brittle fracture modes dominated via transgranular cracking become predominant. The research results of potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) show that both alloys exhibited superior electrochemical stability in a 3.5 wt.% NaCl solution compared to the CoCrFeNi base alloy. X-ray photoelectron spectroscopy (XPS) analysis confirms the formation of stable oxide layers (Nb₂O₅ and V₂O₃) on the precipitated phases, acting as protective barriers against chloride ion penetration. The selective oxidation of Nb and V improves the integrity of the passive film, reducing the corrosion rates and enhancing the long-term durability. These findings highlight the critical role of precipitated phases in enhancing the corrosion resistance of HEAs, and emphasize their potential for use in extreme environments. Full article

The erosion resistance of materials against solid particles is a very important property, especially in the transportation of powders or in aeronautics (dust inside jet engines). There is a strong need to introduce new materials that have higher solid particle erosion resistance than state-of-the-art materials. Thus, in the present work, the solid erosion particles of high entropy alloys (HEAs) based on the Al0.7CoCrFeNi matrix were studied compared to the state-of-the-art stainless steel AISI 304. Furthermore, the effect of the addition of Ti to HEAs on hardness and erosion resistance was investigated. Current research included the development of the chemical composition of a new kind of HEA designed on the basis of thermodynamical calculations performed in CALPHAD, its manufacturing, full characterization involving microstructural and phase analyses, hardness measurements, solid particle erosion tests, and finally, the elucidation of erosion mechanisms. It was found that HEAs showed higher hardness as well as erosion resistance than AISI 304. Moreover, it was found that the increase in Ti content in an HEA resulted in an increase in the hardness and resistance to the erosion of the studied HEA. As the main reason for this phenomenon, the stabilization of the β-BCC phase, suppression of the α-FCC phase, and the appearance of the Ni₃Ti phase in the studied HEA were claimed. Full article

The first-principles calculation method was used to study doping elements with atomic numbers in the range of 23–30 (V–Zn) to form a single-atomic-spin nanochannel in a CoTiSb matrix. In a Ni-Sb single-atomic chain with high spin polarization and hole electrical conductivity, V-Sb, Mn-Sb, Fe-Sb, and Co-Sb single-atom chains have 100% spin polarization, indicating that a supercell containing the central atom chain has typical half-metal characteristics, and in the CoTiSb matrix, is centered on very small single-spin nanochannel forms. Using doping elements with atomic numbers between 23 and 27 (V-Co), the total magnetic moment of the supercell is constantly increasing, but the total magnetic moment of the Ni-doped supercell (Ni-Ti supercell) reduces, and a Cr-Ti supercell has an equal total magnetic moment. Doping elements Cu and Zn have atomic numbers higher than the range. Although the material of the nanochannel retains ferromagnetic properties, the spin polarization rate is reduced, and the material no longer has half-metallic properties. Full article

Capsella bursa-pastoris (L.) Medik (C. bursa-pastoris) is an underexplored medicinal herb and bioindicator of potentially toxic elements (PTEs). Its broad traditional utilization combined with its high capacity for PTE accumulation may endanger human health. Herein, we investigated the concentrations and mobility of PTEs (Ba, Co, Cr, Cu, Fe, Mn, Ni, Sr, and Zn) in the urban soil–C. bursa-pastoris system and comprehensively assessed potential health risks associated with exposure to contaminated soils, plant and herbal extracts. Cu, Zn, Sr, and Mn were the most abundant in soils and predominantly phytoavailable. The calculated values of the geo-accumulation index (I_geo) indicated moderate to heavy Cu, Zn, and Sr contamination in the soil. C. bursa-pastoris demonstrated two strategies for PTEs—the exclusion of Ba, Cr, Mn, and Sr, and the accumulation of Cu, Ni, Co, and Fe. Principal Component Analysis (PCA) classified samples from four cities based on the PTE levels in soils, plants, and herbal extracts. Although plant tissues contained elevated levels of PTEs, the estimated daily intake (EDI), target hazard quotient (THQ), and lifetime carcinogenic risk (LCR) demonstrated no significant health risks from consuming C. bursa-pastoris and its extracts. The obtained results indicated the higher sensitivity of children to the hazardous effects of PTEs compared to adults. Extensive risk assessments of polluted soils and inhabiting plants are crucial in PTE monitoring. This study underscored its importance and delivered new insights into the contamination of medicinal herbs, aiming to contribute to implementing safety policies in public health protection. 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

In this paper, the impact of mechanical alloying (MA) and spark plasma sintering (SPS) on the phase evolution and mechanical properties development of CoCrFeNiTi high–entropy alloys (HEAs) was investigated. The microstructure and properties of the material were examined, using X-ray diffraction (XRD) for phase identification, scanning electron microscopy (SEM) for surface morphology observation, transmission electron microscopy (TEM) for microstructural analysis, and hardness testing to evaluate mechanical performance. The milled powder exhibited nanocrystalline solid solution microstructure with grain sizes below 48 nm, composed of 83% face–centered cubic (FCC) and 17% body–centered cubic (BCC) phases. Mechanically, the bulk CoCrFeNiTi alloy exhibited exceptional strength attributes, as evidenced by a Vickers hardness value reaching 675 Hv, along with a compressive strength of 1894 MPa and a yield stress of 1238 MPa. These findings suggested that the synergistic effects of mechanical alloying and SPS processing can precisely control the phase stability, microstructure refinement, and property optimization in CoCrFeNiTi HEA, with particular promise for advanced structural applications. Full article