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By performing DFT computations, we proposed a promising strategy to tune the ORR/OER catalytic performance of transition metal-nitrogen-carbon by constructing heterostructure with graphdiyne. We found the d-band center and charge transfer of the TM active sites can correlate the ORR/OER catalytic activity and their electronic properties for TM N C/GDY. [Display omitted] • The catalytic activities of the heterostructure between TM N C with GDY (TM N C/GDY) for ORR/OER were studied by means of density functional theory. • Co N C/GDY can be proposed as a bifunctional catalyst for ORR/OER with low overpotential. • According to the constant-potential method, the acidic condition is conducive to boost bifunctional catalytic activity for Co N C/GDY. Exploring high-efficiency electrocatalysts to boost the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) is pivotal to the large-scale applications for clean and renewable energy technologies, such as fuel cells, water splitting, and metal–air batteries. Herein, by means of density functional theory (DFT) computations, we proposed a strategy to modulate the catalytic activity of transition metal-nitrogen-carbon catalysts through their interface engineering with graphdiyne (TM N C/GDY). Our results revealed that these hybrid structures exhibit good stability and excellent electrical conductivity. Especially, Co N C/GDY was identified as a promising bifunctional catalyst for ORR/OER with rather low overpotentials in acidic conditions according to the constant-potential energy analysis. Moreover, the volcano plots were established to describe the activity trend of the ORR/OER on TM N C/GDY using the adsorption strength of the oxygenated intermediates. Remarkably, the d-band center and charge transfer of the TM active sites can be utilized to correlate the ORR/OER catalytic activity and their electronic properties. Our findings not only suggested an ideal bifunctional oxygen electrocatalyst, but also provided a useful strategy to obtain highly efficient catalysts by interface engineering of two-dimensional heterostructures. [ABSTRACT FROM AUTHOR]

The coining technology produces a wide variety of commemorative coins with exquisite patterns. However, it often encounters defects such as insufficient filling, flash lines, light bands, and so on. Process engineers usually perform multiple tryouts to avoid the above-mentioned problems in actual production. This is not only time-consuming and laborious but also ineffective. The virtual tryout of the finite element method (FEM) could assist engineers to avoid the defects in the coining process with a great improvement in product quality. In order to exactly describe complex patterns of commemorative coins, a large number of elements are employed in the classical FEM. Even then, the three dimensional elements, which come in early contact with the reliefs of the punch/die, undergo large deformation and become distorted. Errors of contact judgment between the tools and the workpiece in the FEM occur during the simulation process. Taking into account the advantage of Non-Uniform Rational B-Spline (NURBS) basis functions when accurately describing complex boundaries or surfaces, isogeometric analysis (IGA) is developed for studying the material filling of coin cavities. Six numerical examples involving elastic and plastic analyses with/without contact issues are considered by the presented IGA frameworks and show good performance of the present method in simulating the cavity filling compared with ABAQUS. In addition, numerical findings also indicate that the proposed method exhibits excellent contact detection and strong anti-mesh distortion in large deformation of the coining process. These encouraging observations motivate us to explore the NURBS description of complicated reliefs of coins and the corresponding IGA framework for the coining process. [ABSTRACT FROM AUTHOR]

To explore the main aroma components and aroma differences of black tea produced from two tea cultivars, Fuyun 6 and Jinguanyin, E-nose and GC–MS were adopted. The results showed that black tea made of Jinguanyin had a floral aroma, while black tea of Fuyun 6 had a sweet aroma in the sensory review. Forty-six aroma substances in the 2 cultivars were found by GC–MS; 9 aroma substances had significant differences, including heptaldehyde, furfural, 2,2,6-trimethylcyclohexanone, 2-pentadec-2-enylfuran, cis-3-hexenyl acetate, carveol, methyl salicylate, 5-methyl-2-hexanone, and hexanal. Furthermore, the results of the E-nose showed that five out of the ten sensors were able to discriminate the two cultivars, especially, S2 (sulphide and hydrogen sulphide), S6 (biogas, hydrocarbons, and methane), S7 (combustible gases) and S10 (combustible gases and alkanes) were necessary sensors for identifying the differences between the two cultivars. The results of this study clarified the characteristics of the aroma compositions and the distinctions between black teas made of Jinguanyin and Fuyun 6. Furthermore, they provided a theoretical basis for the classification of the different cultivars and types of black tea. [ABSTRACT FROM AUTHOR]

A new compact static wind imaging interferometer, called the Birefringent Doppler Wind Imaging Interferometer (BIDWIN), has been developed for the purpose of observing upper atmospheric winds using suitably isolated airglow emissions. The instrument combines a field-widened birefringent delay plate placed between two crossed Wollaston prisms with an imaging system, waveplates and polarizers to produce four fixed 90 ∘ phase-stepped images of the interference fringes conjugate to the scene of interest. A four-point algorithm is used to extract line-of-sight Doppler wind measurements across the image of the scene. The arrangement provides a similar throughput to that of a field-widened Michelson interferometer; however, the interferometric component of BIDWIN is smaller, simpler to assemble and less complicated to operate. Consequently, the instrument provides a compact, lightweight and robust alternative that can be constructed and operated with lower cost. In this paper, the instrument concept is presented, and the design and optimization of a prototype version of the instrument are discussed. Characterization of the lab prototype is presented, and the performance of the instrument is examined by applying the instrument to measure a low-velocity two-dimensional Doppler wind field with a high precision (5 m s -1) in the lab. [ABSTRACT FROM AUTHOR]

[Display omitted] • Calcined Ge-UTL encountered structural degradation under pure water solution at RT. • A simply ultrasonic treatment caused random arrangement of the formed cfi layers. • The stacking faults of cfi layers generated abundant intracrystal mesopores. • An excellent styrene epoxidation activity (TOF = 403 h−1) is achieved on Co-Meso-UTL. Co-zeolites with hierarchical porous are significantly desirable for the liquid-phase selective epoxidation of styrene that required relatively open reaction spaces. A typical UTL germanosilicate with the absence of organic structure-directing agent molecules inside pore channels suffered from severe structural collapse after ultrasonic treatment under pure water medium, originating from the unstable germanium-rich double four ring subunits. The simple strategy cleaved the weak linkage Ge-O bands and caused the irregular location of silicon-rich cfi layers. Subsequently, Co activity centers was incorporated into the framework through reacting with the abundant silanol groups located in the hydroxyl nests at room temperature. The random arrangement of mono- or multi- cfi layers induced the stacking faults and generated a large amount of intracrystal mesopores after calcination. The resultant Co-Meso-UTL catalysts favored the molecules diffusion of large-sized styrene and target products, improving the accessibility of Co active sites and exhibiting excellent catalytic performance in the styrene epoxidation reaction with single hydrogen peroxide (H 2 O 2) oxidant. Especially, high styrene oxide product selectivity was also obtained through controlling appropriate H 2 O 2 -added content as well as reaction time, which possessed a highest turnover frequency value of 403 h−1 among the reported catalysts. [ABSTRACT FROM AUTHOR]

The Mars Atmospheric Wind Imaging Interferometer offers several advantages, notably its high throughput, enabling the acquisition of precise and high vertical resolution data on the temperature and wind fields in the Martian atmosphere. Considering the current absence of such an Interferometer, this paper introduces a novel Mars wind field imaging interferometer. In analyzing the photochemical model of O2 (a1Δg) 1.27 μm molecular airglow radiation in the Martian atmosphere and considering the impact of instrument signal-to-noise ratio (SNR), we have chosen an optical path difference (OPD) of 8.6 cm for the interferometer. The all-solid-state polarized wind imaging interferometer is miniaturized by incorporating two arm glasses as the compensation medium in its construction, achieving the effects of field-widening and temperature compensation. Additionally, an F-P Etalon is designed to selectively filter the desired three spectral lines of O2 dayglow, and its effect is evaluated through simulations. The accuracy of the proposed compact Mars polarized wind imaging interferometer for detecting Mars' wind field and temperature field has been validated through rigorous theoretical derivation and comprehensive computer simulations. The interferometer boasts several advantages, including its compact and small size, static stability, minimal stray light, and absence of moving parts. It establishes the theoretical, technological, and instrumental engineering foundations for future simultaneous static measurement of Martian global atmospheric wind fields, temperature fields, and ozone concentrations from spacecraft, thereby significantly contributing to the dataset for investigating Martian atmospheric dynamics. [ABSTRACT FROM AUTHOR]

This article investigated the interaction mechanism between carbon monoxide (CO) and lignite organic matter in lignite liquefaction systems. The study found that a CO atmosphere can facilitate lignite conversion, but its hydrogen supply capacity is poor, resulting in lower liquefaction effects compared to an H 2 atmosphere. Increasing the initial reaction pressure and CO content can enhance the conversion of lignite to low molecular compounds. In-situ studies on lignite pyrolysis in CO and N 2 atmospheres show that CO plays an effective role in promoting the fracture of multiple hydrogen bonds present in lignite, which is linked to the water-gas shift reaction that CO takes part. Additionally, CO can also facilitate the breaking of oxygen-containing ether bonds in lignite, thereby eliminating oxygen and producing CO 2 in the gaseous phase. Density functional theory (DFT) calculations demonstrate that CO reacts with the group after the ether bond breaks, which reduces the formation energy of the product and promotes the ether bond breaking. In summary, CO in syngas may benefit the breaking of ether and hydrogen bonds in lignite during liquefaction, thus promoting lignite conversion. [Display omitted] • The interaction mechanism between CO and lignite organic matter in liquefaction was studied. • CO in syngas may be beneficial to the breaking of ether bond and hydrogen bond in lignite. • CO can promote the conversion of lignite to low molecular compounds during liquefaction. [ABSTRACT FROM AUTHOR]