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Cooperation between single atom catalyst and support to promote nitrogen electroreduction to ammonia:A theoretical insight

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Journal of Energy Chemistry 2024年第9期96卷 336-344页

作者： Wanying guo Siyao wang Hongxia wang Qinghai Cai Jingxiang zhao College of Chemistry and Chemical Engineering Harbin Normal UniversityHarbin 150025HeilongjiangChina

The co-catalysis between single atom catalyst(SAC)and its support has recently emerged as a promising strategy to synergistically boost the catalytic activity of some complex electrochemical reactions,encompassing multiple intermediates and ***,we utilized defective BC_(3)monolayer-supported SACs as a prototype to investigate the cooperative effects of SACs and their support on the catalytic performance of the nitrogen reduction reaction(NRR)for ammonia(NH_(3))*** results showed that these SACs can be firmly stabilized on these defective BC_(3)supports with high stability against ***,co-activation of the inert N_(2)reactant was observed in certain embedded SACs and their neighboring B atoms on certain BC3 sheets due to the noticeable charge transfer and significant N–N bond *** high-throughput screening revealed that the Mo/DV_(CC)and W/DV_(CC)exhibit superior NRR catalytic performance,characterized by a low limiting potential of−0.33 and−0.43 V,respectively,which can be further increased under acid conditions based on the constant potential ***,varying NRR catalytic activities can be attributed to the differences in the valence state of active ***,further microkinetic modeling analysis displayed that the turnover frequency of N_(2)–to–NH_(3)conversion on Mo/DV_(CC)is as large as 1.20×10^(−3)s^(−1)site^(−1) at 700 K and 100 bar,thus guaranteeing its ultra-fast reaction *** results not only suggest promising advanced electrocatalysts for NRR but also offer an effective avenue to regulate the electrocatalytic performance via the co-catalytic metal–support interactions.

关键词： Co-catalysis Single atom catalyst Nitrogen reduction DFT computations

Quasi-angle-preserving mesh deformation using the least-squares approach

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Journal of Zhejiang University-Science C(Computers and Electronics) 2014年第9期15卷 754-763页

作者： Gang XU Li-shan DENG Wen-bing GE Kin-chuen HUI guo-zhao wang Yi-gang wang Department of Computer Science Hangzhou Dianzi University Department of Mechanical and Automation Engineering The Chinese University of Hong Kong Department of Mathematics Zhejiang University

We propose an angle-based mesh representation, which is invariant under translation, rotation, and uniform scaling, to encode the geometric details of a triangular mesh. Angle-based mesh representation consists of angle quantities defined on the mesh, from which the mesh can be reconstructed uniquely up to translation, rotation,and uniform scaling. The reconstruction process requires solving three sparse linear systems: the first system encodes the length of edges between vertices on the mesh, the second system encodes the relationship of local frames between two adjacent vertices on the mesh, and the third system defines the position of the vertices via the edge length and the local frames. From this angle-based mesh representation, we propose a quasi-angle-preserving mesh deformation system with the least-squares approach via handle translation, rotation, and uniform scaling. Several detail-preserving mesh editing examples are presented to demonstrate the effectiveness of the proposed method.

关键词： Mesh deformation Angle-based representation Detail-preserving Least-squares approach

Impacts of inter-satellite links on the ECOM model performance for BDS-3 MEO satellites

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Satellite Navigation 2024年第1期5卷 140-154页

作者： Chao Yang Jing guo Xiaolong Xu Longyu wang Qile zhao GNSS Research Center Wuhan UniversityNo.129 Luoyu RoadWuhan430079China

Inter-satellite link(ISL)plays an essential role in current and future Global Navigation Satellite System(GNSS).In this study,we investigate the impact of ISL observations on precise orbit determination for BeiDou-3 Navigation Satellite System(BDS-3)Medium Earth Orbit(MEO)satellites based on different Extended CODE Orbit Models(ECOM).Thanks to the better observation geometry of the Ka-band ISL data compared to the L-band data for BDS-3 MEO satellites,the ISL solution substantially reduces Orbit Boundary Discontinuity(OBD)errors,except for C30,which suffers from unstable Ka-band hardware *** the external quality analysis,ISL significantly enhances the reliability of the orbit of MEO satellites manufactured by the China Academy of Space Technology(CAST).The standard deviation(STD)of the satellite laser ranging(SLR)residuals is approximately 2.5 cm,and the root mean square(RMS)is reduced by 10–23%compared to L-band ***,the Sun-elongation angle dependent systematic error in SLR residuals nearly vanishes based on the reduced 5-parameter ECOM(ECOM1)or extended 7-parameter ECOM(ECOM2)with ISL *** is because the ISL reduces the correlation between state parameters and solar radiation pressure(SRP)parameters as well as those among SRP parameters,leading to a more accurate estimation of both orbit and SRP perturbations,particularly those along B *** confirms that the deficiency of the SRP models for BDS-3 CAST satellites can be compensated by using better observation geometry from ISL *** the other hand,for the satellite manufactured by Shanghai Engineering Center for Microsatellites(SECM),the ISL allows for a more accurate estimation of the Bc_(1)parameter in the ECOM1 *** only reduces linear systematic error,possibly because the impact generated by the satellite bus cannot be entirely absorbed by the B-direction parameters.

关键词： BDS-3 MEO Inter-satellite link Solar radiation pressure ECOM

NIR-Ⅱ responsive Janus nanoparticles amplify immunogenic cell death for enhanced cancer immunotherapy

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Science China(Technological Sciences) 2024年第1期67卷 321-329页

作者： CHEN BeiBei guo KangLi wang HaoRan XU Fu-Jian wang JuLin zhao NaNa State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBeijing 100029China Key Laboratory of Biomedical Materials of Natural Macromolecules(Beijing University of Chemical Technology) Beijing Laboratory of Biomedical MaterialsBeijing University of Chemical TechnologyBeijing 100029China College of Materials Sciences and Engineering Beijing University of Chemical TechnologyBeijing 100029China Beijing Key Laboratory of Electrochemical Process and Technology for Materials Beijing University of Chemical TechnologyBeijing 100029China

Immunotherapy brings new hope for tumor treatment by inducing immunogenic cell death(ICD)of tumor ***,insufficient immunogenicity and low immune response rate greatly limit antitumor ***,by optimizing the composition and morphology,the rational design of Janus nanoparticles composed of Fe_(3)O_(4) nanospheres and SiO_(2)nanorods was realized for enhanced cancer immunotherapy through amplified *** glucose oxidase(GOx)was loaded by the Janus nanoparticles,the resultant M-FS-GOx consumes glucose at tumor sites to generate gluconic acid and hydrogen peroxide(H_(2)O_(2))for starvation therapy while the H_(2)O_(2)supply promotes the production of highly toxic·OH to achieve effective chemodynamic therapy(CDT).Under a 1064 nm light irradiation,the photothermal effect of M-FS-GOx enhances the enzyme activity of GOx for improved starvation ***,both tumor-associated antigens released during the process of ICD and the intrinsic immunoadjuvant property of M-FS-GOx stimulate dendritic cell maturation to activate antitumor immune *** work provides a promising strategy for the construction of Janus nanoparticles to achieve enhanced cancer immunotherapy through combination therapy-amplified ICD.

关键词： Janus nanoparticles immunogenic cell death cancer immunotherapy

Comparison of nonlinear modeling methods for the composite rubber clamp

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Applied Mathematics and Mechanics(English Edition) 2024年第5期45卷 763-778页

作者： Yiming CAO Hui MA Xumin guo Bingfeng zhao Hui LI Xin wang Bing wang School of Mechanical Engineering and Automation Northeastern UniversityShenyang 110819China Key Laboratory of Vibration and Control of Aero-Propulsion Systems of Ministry of Education of China Northeastern UniversityShenyang 110819China AVIC Shenyang Engine Design Institute Shenyang 110013China Dalian Mengyu Machinery Co. Ltd.Dalian 116317Liaoning ProvinceChina

The cubic stiffness force model(CSFM)and Bouc-Wen model(BWM)are introduced and compared *** unknown coefficients of the nonlinear models are identified by the genetic algorithm combined with *** fitting the identified nonlinear coefficients under different excitation amplitudes,the nonlinear vibration responses of the system are *** results show that the accuracy of the BWM is higher than that of the CSFM,especially in the non-resonant ***,the optimization time of the BWM is longer than that of the CSFM.

关键词： pipeline system nonlinear clamp model composite rubber clamp amplitude-dependent characteristic vibration response experiment

Mechanical properties and thermal deformation behavior of low-cost titanium matrix composites prepared by a structure-optimized Y_(2)O_(3) crucible

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Journal of Iron and Steel Research International 2024年第3期31卷 738-751页

作者： Qian Dang Gang Huang Ye wang Chi Zhang guo-huai Liu zhao-dong wang The State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang 110819LiaoningChina School of Materials Science and Chemical Engineering Harbin University of Science and TechnologyHarbin 150004HeilongjiangChina School of Materials Science and Engineering Shenyang University of TechnologyShenyang 110870LiaoningChina

A porous yttrium oxide crucible with both thermal shock resistance and erosion resistance was developed by structural *** structure-optimized yttrium oxide crucible was proved to be suitable for melting highly reactive titanium ***-cost(TiB+Y2O_(3))-reinforced titanium matrix composites were prepared by vacuum induction melting using the prepared *** thermal deformation behavior and microstructure evolution of(TiB+Y2O_(3))-reinforced tita-nium matrix composites were investigated at deformation temperatures of 900-1100℃with strain rates of 0.001-1 *** results showed that the prepared yttrium oxide crucible had both thermal shock and erosion resistance,the low-cost titanium matrix composites could be prepared by the developed yttrium oxide crucibles which were homogeneous in composition and highly sensitive to strain rate and deformation temperature,and the peak and theological stresses decreased with increasing deformation temperature or decreasing strain *** addition,the average thermal deformation activation energy of the composites was calculated to be 574.6 kJ/mol by establishing the Arrhenius constitutive equation in consideration of the strain variables,and the fitting goodness between the predicted stress value and the measured value was 97.624%.The calculated analysis of the hot processing map showed that the best stable thermal deformation zone was located in the deformation temperature range of 1000-1100℃and strain rate range of 0.001-0.01 s^(-1),where the peak dissipation coefficient wasη=71%.In this zone,the deformation of the reinforcement and matrix was harmonious,the reinforcement was less likely to fracture,dynamic recrystallization occurred more fully and the alloy exhibited near steady rheological characteristics.

关键词： Yttrium oxide crucible Titanium matrix composite Thermal deformation behavior Constitutive equation Hot processing map Microstructure evolution

Benefit of aerosol reduction to winter wheat during China's clean air action:A case study of Henan Province

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Journal of Environmental Sciences 2024年第7期141卷 90-101页

作者： Yang Bai Pengfei zhao Xueyang Chen Lijun wang Wenjuan Chang Jianzhong guo Jiayao wang College of Geography and Environmental Science Henan UniversityKaifeng 475004China Henan Industrial Technology Academy of Spatio-Temporal Big Data Henan UniversityZhengzhou 475000China Henan Technology Innovation Center of Spatio-Temporal Big Data Henan UniversityZhengzhou 450046China Key Laboratory of Geospatial Technology for the Middle and Lower Yellow River Regions(Henan University) Ministry of EducationKaifeng 475000China

A strongly declining aerosol radiative effect has been observed in China since 2013 after implementing the clean air action,yet its impact on wheat(Triticum aestivum L.)production remains *** use satellite measures and a biophysical crop model to assess the impact of aerosol-induced radiative perturbations on winter wheat production in the agricultural belt of Henan province from 2013 to *** calibrating parameters with the extended Fourier Amplitude Sensitivity Test(EFAST)and the generalized likelihood uncertainty estimation(GLUE)method,the DSSAT CERES-Wheat model was able to simulate crop biomass and yield more *** found that the aerosol negatively impacted wheat biomass by 21.87%and yield by 22.48%from 2006 to 2018,and the biomass effects from planting to anthesis were more significant compared to anthesis to *** to the strict clean air action,under all-sky conditions,the surface solar shortwave radiation(SSR)in 2018 increased by about 7.08%over 2006-2013 during the wheat growing *** a result of the improvement of crop photosynthesis,winter wheat biomass and yield increased by an average of 5.46%and 2.9%,*** findings show that crop carbon uptake and yield will benefit from the clean air action in China,helping to ensure national food and health security.

关键词： Haze pollution Clean air action Aerosol-induced radiative perturbation Wheat production DSSAT model

Pedestrian wind flow prediction using spatial-frequency generative adversarial network

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Building Simulation 2024年第2期17卷 319-334页

作者： Pengyue wang Maozu guo Yingeng Cao Shimeng Hao Xiaoping Zhou Lingling zhao School of Architecture and Urban Planning Beijing University of Civil Engineering and ArchitectureBeijing100044China Beijing Key Laboratory of Intelligent Processing for Building Big Data Beijing100044China School of Electrical and Information Engineering Beijing University of Civil Engineering and ArchitectureBeijing100044China School of Computer Science and Technology Harbin Institute of TechnologyHarbin150001China

Pedestrian wind flow is a critical factor in designing livable residential environments under growing complex urban *** pedestrian wind flow during the early design stages is essential but currently suffers from inefficiencies in numerical *** learning,particularly generative adversarial networks(GAN),has been increasingly adopted as an alternative method to provide efficient prediction of pedestrian wind ***,existing GAN-based wind flow prediction schemes have limitations due to the lack of considering the spatial and frequency characteristics of wind flow *** study proposes a novel approach termed SFGAN,which embeds spatial and frequency characteristics to enhance pedestrian wind flow *** the spatial domain,Gaussian blur is employed to decompose wind flow into components containing wind speed and distinguished flow edges,which are used as the embedded spatial *** information of wind flow is obtained through discrete wavelet transformation and used as the embedded frequency *** spatial and frequency characteristics of wind flow are jointly utilized to enforce consistency between the predicted wind flow and ground truth during the training phase,thereby leading to enhanced *** results demonstrate that SFGAN clearly improves wind flow prediction,reducing Wind_MAE,Wind_RMSE and the Fréchet Inception Distance(FID)score by 5.35%,6.52%and 12.30%,compared to the previous best method,*** also analyze the effectiveness of incorporating the spatial and frequency characteristics of wind flow in predicting pedestrian wind *** reduces errors in predicting wind flow at large error intervals and performs well in wake regions and regions surrounding *** enhanced predictions provide a better understanding of performance variability,bringing insights at the early design stage to improve pedestrian wind *** proposed spatial-frequen

关键词： pedestrian wind flow prediction generative adversarial network Gaussian kernel wavelet transform objective function

Visualization and characterization of experimental hydraulic fractures interacting with karst fracture-cavity distributions

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第5期16卷 1667-1683页

作者： Hanzhi Yang Xin Chang Chunhe Yang Wuhao guo Lei wang guokai zhao Yintong guo State Key Laboratory of Coal Mine Disaster Dynamics and Control Chongqing UniversityChongqing400044China State Key Laboratory of Geomechanics and Geotechnical Engineering Institute of Rock and Soil MechanicsChinese Academy of SciencesWuhan430071China

Karst fracture-cavity carbonate reservoirs,in which natural cavities are connected by natural fractures to form cavity clusters in many circumstances,have become significant fields of oil and gas exploration and *** fracturing is considered as the best method for exploiting carbonate reservoirs;however,previous studies primarily focused on the effects of individual types of geological formations,such as natural fractures or cavities,on fracture *** this study,true-triaxial physical simulation experiments were systematically performed under four types of stress difference conditions after the accurate prefabrication of four types of different fracture-cavity distributions in artificial ***,the interaction mechanism between the hydraulic fractures and fracture-cavity structures was systematically analyzed in combination with the stress distribution,cross-sectional morphology of the main propagation path,and three-dimensional visualization of the overall fracture *** was found that the propagation of hydraulic fractures near the cavity was inhibited by the stress concentration surrounding the *** contrast,a natural fracture with a smaller approach angle(0°and 30°)around the cavity can alleviate the stress concentration and significantly facilitate the connection with the *** addition,the hydraulic fracture crossed the natural fracture at the 45°approach angle and bypassed the cavity under higher stress difference conditions.A new stimulation effectiveness evaluation index was established based on the stimulated reservoir area(SRA),tortuosity of the hydraulic fractures(T),and connectivity index(CI)of the *** findings provide new insights into the fracturing design of carbonate reservoirs.

关键词： Karst fracture-cavity reservoir Fracturing experiment Fracture propagation Cross-sectional morphology Stimulation effectiveness