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Key role of electron accessibility at the noble metal-free catalytic interface in hydrogen evolution reaction

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Nano Research 2024年第4期17卷 2538-2545页

作者： Dongchen Han Nanxing Gao Yuyi Chu Zhaoping shi Ying Wang Junjie Ge Meiling Xiao Changpeng Liu Wei xing State Key Laboratory of Electroanalytical Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China Laboratory of Advanced Power Sources Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China Jilin Province Key Laboratory of Low Carbon Chemical Power Sources Changchun 130022China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China

The reactant concentration at the catalytic interface holds the key to the activity of electrocatalytic hydrogen evolution reaction(HER),mainly referring to the capacity of adsorbing hydrogen and electron *** hydrogen adsorption free energy(ΔGH)as a reactivity descriptor,the volcano curve based on Sabatier principle is established to evaluate the hydrogen evolution activity of ***,the role of electron as reactant received insufficient attention,especially for noble metal-free compound catalysts with poor conductivity,leading to cognitive gap between electronic conductivity and apparent catalytic *** we successfully construct a series of catalyst models with gradient conductivities by regulating molybdenum disulfide(MoS_(2))electronic bandgap via a simple solvothermal *** demonstrate that the conductivity of catalysts greatly affects the overall catalytic *** further elucidate the key role of intrinsic conductivity of catalyst towards water electrolysis,mainly concentrating on the electron transport from electrode to catalyst,the electron accumulation process at the catalyst layer,and the charge transfer progress from catalyst to *** and experimental evidence demonstrates that,with the enhancement in electron accessibility at the catalytic interface,the dominant parameter governing overall HER activity gradually converts from electron accessibility to combination of electron accessibility and hydrogen adsorbing *** results provide the insight from various perspective for developing noble metal-free catalysts in electrocatalysis beyond HER.

关键词： conductivity molybdenum disulfide catalytic interface electron accessibility hydrogen evolution charge transfer.

A semantic vector map-based approach for aircraft positioning in GNSS/GPS denied large-scale environment

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Defence Technology（防务技术） 2024年第4期34卷 1-10页

作者： Chenguang Ouyang Suxing Hu Fengqi Long Shuai shi Zhichao Yu Kaichun Zhao Zheng You Junyin Pi Bowen xing State Key Laboratory of Precision Measurement Technology and Instruments Tsinghua UniversityBeijing 100084China School of Mechanical and Information Engineering China University of Mining and Technology(Beijing)Beijing 100083China

Accurate positioning is one of the essential requirements for numerous applications of remote sensing data,especially in the event of a noisy or unreliable satellite *** this end,we present a novel framework for aircraft geo-localization in a large range that only requires a downward-facing monocular camera,an altimeter,a compass,and an open-source Vector Map(VMAP).The algorithm combines the matching and particle filter *** vector and correlation between two building contour vectors are defined,and a coarse-to-fine building vector matching(CFBVM)method is proposed in the matching stage,for which the original matching results are described by the Gaussian mixture model(GMM).Subsequently,an improved resampling strategy is designed to reduce computing expenses with a huge number of initial particles,and a credibility indicator is designed to avoid location mistakes in the particle filter *** experimental evaluation of the approach based on flight data is *** a flight at a height of 0.2 km over a flight distance of 2 km,the aircraft is geo-localized in a reference map of 11,025 km~2using 0.09 km~2aerial images without any prior *** absolute localization error is less than 10 m.

关键词： Large-scale positioning Building vector matching Improved particle filter GPS-Denied Vector map

Dynamic interwell connectivity analysis of multi-layer waterflooding reservoirs based on an improved graph neural network

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Petroleum Science 2024年第2期21卷 1062-1080页

作者： Zhao-Qin Huang Zhao-Xu Wang Hui-Fang Hu shi-Ming Zhang Yong-xing Liang Qi Guo Jun Yao School of Petroleum Engineering China University of Petroleum(East China)Qingdao266580ShandongChina Exploration and Development Research Institute Shengli OilfieldSINOPECDongying257015ShandongChina

The analysis of interwell connectivity plays an important role in the formulation of oilfield development plans and the description of residual oil distribution. In fact, sandstone reservoirs in China's onshore oilfields generally have the characteristics of thin and many layers, so multi-layer joint production is usually adopted. It remains a challenge to ensure the accuracy of splitting and dynamic connectivity in each layer of the injection-production wells with limited field data. The three-dimensional well pattern of multi-layer reservoir and the relationship between injection-production wells can be equivalent to a directional heterogeneous graph. In this paper, an improved graph neural network is proposed to construct an interacting process mimics the real interwell flow regularity. In detail, this method is used to split injection and production rates by combining permeability, porosity and effective thickness, and to invert the dynamic connectivity in each layer of the injection-production wells by attention *** on the material balance and physical information, the overall connectivity from the injection wells,through the water injection layers to the production layers and the output of final production wells is established. Meanwhile, the change of well pattern caused by perforation, plugging and switching of wells at different times is achieved by updated graph structure in spatial and temporal ways. The effectiveness of the method is verified by a combination of reservoir numerical simulation examples and field example. The method corresponds to the actual situation of the reservoir, has wide adaptability and low cost, has good practical value, and provides a reference for adjusting the injection-production relationship of the reservoir and the development of the remaining oil.

关键词： Graph neural network Dynamic interwell connectivity Production-injection splitting Attention mechanism Multi-layer reservoir

Constructing S-scheme charge separation in cobalt phthalocyanine/oxygen-doped g-C_(3)N_(4) heterojunction with enhanced photothermal-assisted photocatalytic H_(2) evolution

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Rare Metals 2024年第1期43卷 198-211页

作者： Wei-Long shi Zheng Xu Yu-xing shi Ling-Ling Li Jia-Lin Lu Xin-Hai Sun Xin Du Feng Guo Chang-Yu Lu School of Material Science and Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China School of Energy and Power Jiangsu University of Science and TechnologyZhenjiang 212003JiangsuChina College of Chemistry Zhengzhou UniversityZhengzhou 450001China School of Water Resource and Environment Hebei Province Key Laboratory of Sustained Utilization and Development of Water RecourseHebei Center for Ecological and Environmental Geology ResearchHebei Geo UniversityShijiazhuang 050031China

Hydrogen acquisition from solar energy is an effective way to address energy crisis,which makes the development of efficient photocatalysts become the main direction of scientific ***,cobalt phthalocyanine/oxygen-doped g-C_(3)N_(4)(CoPc/OCN) S-scheme heterojunction photocatalyst was designed by coupling multi-step calcination with solvothermal method for enhanced photothermal-assisted photocatalytic H_(2) *** multistep calcined g-C_(3)N_(4) is easier for O-doping formation,and the ethanol solvothermal strategy is utilized to enhance the dispersion of CoPc on OCN nano sheet surface and forms sufficient S-scheme heterojunction through *** addition,the active sites and excellent photothermal properties of CoPc itself further improve the integrated photocatalytic activity of CoPc/OCN S-scheme *** optimal photocatalytic hydrogen evolution rate of CoPc/OCN S-scheme heterojunction photocatalyst reached 9.56 mmol·g^(-1)·h^(-1),which is 2.69 and 1.23 times higher than that of CN and OCN,*** work provides a valuable design idea and scheme for enhancing the multi-factor co-assisted photocatalytic H_(2) evolution performance.

关键词： Photothermal Photocatalytic H_(2)evolution Cobalt phthalocyanine Oxygen-doped g-C_(3)N_(4) Sscheme heterojunction

Numerical and Experimental Analysis of the Aerodynamic Torque for Axle-Mounted Train Brake Discs

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Fluid Dynamics & Materials Processing 2024年第8期20卷 1867-1882页

作者： Nan Liu Chen Hong Xinchao Su xing Jin Chen Jiang Yuqi shi Bingkun Wang Brake System Laboratory CRCC(Qingdao)Vehicle Inspection Station Co.Ltd.Qingdao266031China Brake System Laboratory CRRC Qingdao Sifang Rolling Stock Research Institute Co.Ltd.Qingdao266031China The State Key Laboratory of Heavy-Duty and Express High-Power Electric Locomotive Central South UniversityChangsha410075China Key Laboratory of Traffic Safety on Track of Ministry of Education School of Traffic&Transportation EngineeringCentral South UniversityChangsha410075China National&Local Joint Engineering Research Center of Safety Technology for Rail Vehicle Changsha410075China

As the velocity of a train increases,the corresponding air pumping power consumption of the brake discs increases *** the present experimental study,a standard axle-mounted brake disc with circumferential pillars was analyzed using a 1:1 scale model and a test rig in a wind *** particular,three upstream velocities were selected on the basis of earlier investigations of trains operating at 160,250,and 400 km/h,***,3D steady computational fluid dynamics(CFD)simulations of the flow field were conducted to compare with the wind tunnel test *** results for a 3-car train at 180 km/h demonstrated:(1)good agreement between the air resistance torques obtained from the wind tunnel tests and the related numerical results,with differences ranging from 0.95%to 5.88%;(2)discrepancies ranging from 3.2 to 3.8 N·m;(3)cooling ribs contributing more than 60%of the air resistance torque;(4)the fast rotation of brake discs causing a significantly different flow field near the bogie area,resulting in 25 times more air pumping power loss than that obtained in the stationary brake-disc case.

关键词： Axle-mounted train brake disc aerodynamic torque wind tunnel test numerical simulation

Discrete element modeling and parameter calibration of safflower biomechanical properties

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International Journal of Agricultural and Biological Engineering 2024年第2期17卷 37-46页

作者： Zhenguo Zhang Chao Zeng Zhenyu xing Peng Xu Quanfeng Guo Ruimeng shi Yunze Wang College of Mechanical and Electrical Engineering Xinjiang Agricultural UniversityUrumqi 830052China Key Laboratory of Xinjiang Intelligent Agricultural Equipment Xinjiang Agricultural UniversityUrumqi 830052China

Understanding the biomechanical properties of safflowers is essential for appropriately designing harvesting machinery and optimizing the harvesting *** is a flexible crop that lacks a basis for relevant simulation parameters,which causes difficulties in designing harvesting *** this study,a calibration method for safflowers was ***,a discrete element model was established by measuring the intrinsic parameters of a safflower,such as its geometric parameters,density,Poisson’s ratio,and modulus of ***,the contact and bonding parameters were calibrated using a combination of physical and simulation *** the contact parameter tests,the Hertz-Mindlin(no-slip)model was implemented for the stacking angle tests conducted regarding the safflower filament.A regular two-level factorial design was used to determine the important factors and perform the steepest climb ***,the Box-Behnken design was adopted to obtain the optimal contact *** the bonding parameter tests,the Hertz-Mindlin model with bonding contact was applied for the safflower shear simulation tests;moreover,the optimum bonding parameters were obtained through the central composite design *** results demonstrated that the relative errors between the simulated and measured stacking angles and maximum shear were 3.19%and 5.29%,*** a result,the safflower simulation parameters were accurately calibrated,providing a reference for appropriately setting the simulation parameters and designing key mechanical components.

关键词： safflower DEM parameter calibration shear test biomechanical properties

Microstructure and magnetocaloric properties of melt-extracted SmGdDyCoAl high-entropy amorphous microwires

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Rare Metals 2024年第3期43卷 1234-1242页

作者： shi-Jie Wei Hong-Xian Shen Lun-Yong Zhang Lin Luo Xin-xing Tang Jian-Fei Sun Xiao-Qing Li School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China Applied Materials Physics Department of Materials Science and EngineeringKTH-Royal Institute of Technology10044StockholmSweden

This paper presents a systematic investigation of the microstructure and magnetocaloric properties of melt-extracted Sm_(20)Gd_(20)Dy_(20)Co_(20)Al_(20)high-entropy *** fabricated wires exhibited an amorphous structure,and the temperature interval of the undercooled liquid AT was 45 *** microwires underwent a second-order magnetic transition from a ferromagnetic to a paramagnetic state near the Curie temperature(T_(C)=52 K),The maximum magnetic entropy change(-ΔS_M^(max)),the relative cooling power and the refrigeration capacity reached 6.34 J·kg^(-1)·K^(-1).422.09 J·kg^(-1)and 332.94 J·kg^(-1),respectively,under a magnetic field change of 5 *** addition,the temperature-averaged entropy changes with two temperature lifts(3 and 10 K)were 6.32 and 6.27 J·kg^(-1)·K^(-1),*** good magnetocalorie performance highlights the significant potential for the Sm_(20)Gd_(20)Dy_(20)Co_(20)Al_(20)microwires to be used as magnetic refrigerant materials in low-temperature region *** work will serve as a valuable reference for future investigations on low-temperature high-entropy magnetocaloric materials.

关键词： Melt-extraction High-entropy amorphous microwires Magnetocaloric effect Magnetic refrigeration

Simultaneous Bulk-and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model

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Chinese Journal of Polymer Science 2024年第3期42卷 364-372,I0008页

作者： Jia-Shu Ma Zhi-Ning Huang Jia-Hao Li Bang-Ping Jiang Yan-Da Liao shi-Chen Ji xing-Can Shen State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources(Ministry of Education of China)School of Chemistry and Pharmaceutical SciencesGuangxi Normal UniversityGuilin 541004China School of Computer Science and Engineering&School of Software Guangxi Normal UniversityGuilin 541004China

To better characterize the properties of surface-initiated polymers, simultaneous bulk-and surface-initiated polymerizations are usually carried out by assuming that the properties of the surface-initiated polymers resemble those of the bulk-initiated polymers. Through a Monte Carlo simulation using a heterogeneous stochastic reaction model, it was discovered that the bulk-initiated polymers exhibit a higher molecular weight and a lower dispersity than the corresponding surface-initiated polymers, which indicates that the equivalent assumption is invalid. Furthermore, the molecular weight distributions of the two types of polymers are also different, suggesting different polymerization mechanisms. The results can be simply explained by the heterogeneous distributions of reactants in the system. This study is helpful to better understand surface-initiated polymerization.

关键词： Surface-initiated polymerization Polymer brush Stochastic reaction model Heterogeneous polymerization Simultaneous polymerization

Suppressing the lattice oxygen diffusion via high-entropy oxide construction towards stabilized acidic water oxidation

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Nano Research 2024年第3期17卷 1107-1113页

作者： Jing Ni Zhaoping shi Yibo Wang Jiahao Yang Hongxiang Wu Pengbo Wang Kai Li Meiling Xiao Changpeng Liu Wei xing State Key Laboratory of Electroanalytic Chemistry Jilin Province Key Laboratory of Low Carbon Chemistry PowerChangchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China

The scale-up deployment of ruthenium(Ru)-based oxygen evolution reaction(OER)electrocatalysts in proton exchange membrane water electrolysis(PEMWE)is greatly restricted by the poor *** the lattice-oxygen-mediated mechanism(LOM)has been identified as the major contributor to the fast performance degradation,impeding lattice oxygen diffusion to inhibit lattice oxygen participation is imperative,yet remains challenging due to the lack of efficient ***,we strategically regulate the bonding nature of Ru–O towards suppressed LOM via Ru-based high-entropy oxide(HEO)*** lattice disorder in HEOs is believed to increase migration energy barrier of lattice *** a result,the screened Ti_(23)Nb_(9)Hf_(13)W_(12)Ru_(43)O_(x) exhibits 11.7 times slower lattice oxygen diffusion rate,84%reduction in LOM ratio,and 29 times lifespan extension compared with the state-of-the-art RuO_(2) *** work opens up a feasible avenue to constructing stabilized Ru-based OER catalysts towards scalable application.

关键词： ruthenium-based high-entropy oxide suppressing the lattice oxygen diffusion acidic oxygen evolution reaction