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How interfacial electron-donating defects influence the structure and charge of gold nanoparticles on TiO_(2)support

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Nano Research 2024年第7期17卷 5965-5974页

作者： guang-Jie Xia Yu Fu Wei Cao Jun Li Yang-Gang wang Department of Chemistry and guangdong Provincial Key Laboratory of Catalysis Southern University of Science and TechnologyShenzhen 518055China School of Physical Sciences Great Bay UniversityDongguan 523000China Department of Chemistry Tsinghua UniversityBeijing 100084China

The reduction degree of TiO_(2)support is critical to the performances of metal *** many previous theoretical calculations,only the bridge oxygen vacancy(Ov)was considered as the electron-donating defect on reduced rutile TiO_(2)(r-TiO_(2−x))***,titanium adatoms(Tiad.),oxidized titanium islands(***),and acid hydroxyls(ObrH)also exist at the metal/support *** conducting density functional theory(DFT)calculations and ab initio molecular dynamics(AIMD)simulations,we compared r-TiO_(2−x)surfaces with Ov,Tiad.,***,and ObrH sites loaded with Au nanoparticles(NPs).The results showed the Au NPs were oxygen-phobic but titanium-philic,resulting in wetting of Ov and *** short contact with *** and *** Bader charges of Au NPs(QM)showed a good linear relationship with the ideal number of donating electrons(Ne)from the defective sites(QM=−KeNe+QM,S),demonstrating the intrinsic electron allocation at the *** Ov,Tiad.,and *** exhibited similar slopes(Ke),relatively steeper than that of *** means in the scope of Au NP charge state,the *** *** have a close electron-donating ability with Ov,but the ObrH donates relatively fewer *** linear relationship can be extended approximately to other *** higher the metal work function,the steeper the Ke for easier electron donation from defective *** stronger the metal oxygen affinity,the more positive the intercept(QM,S).That explains the easy generation of metallic or negative Pt and Au NPs on r-TiO_(2−x),but hard for Cu and Zn in *** provides theoretical guidance for regulating the charge of metal NPs over TiO_(2−x)supports.

关键词： metal-support interaction titanium oxide oxygen vacancy surface hydroxyl titanium adatom

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A systematic framework of constructing surrogate model for slider track peeling strength prediction

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Science China Technological Sciences 2024年第10期67卷 3261-3274页

作者： DONG XingJian CHEN Qian LIU wenBo wang Dong PENG ZhiKe MENG guang State Key Laboratory of Mechanical System and Vibration Shanghai Jiao Tong University KEIPER Seating Mechanisms Co. Ltd. Department of Industrial Engineering and Management Shanghai Jiao Tong University

Peeling strength can comprehensively reflect slider track safety and is crucial in car seat safety assessments. Current methods for determining slider peeling strength are primarily physical testing and numerical simulation. However, these methods encounter the potential challenges of high costs and overlong time consumption which have not been adequately addressed. Therefore, the efficient and low-cost surrogate model emerges as a promising solution. Nevertheless, currently used surrogate models suffer from inefficiencies and complexity in data sampling, lack of robustness in local model predictions, and isolation between data sampling and model prediction. To overcome these challenges, this paper aims to set up a systematic framework for slider track peeling strength prediction, including sensitivity analysis, dataset sampling, and model prediction. Specifically, the interpretable linear regression is performed to identify the sensitivity of various geometric variables to peeling strength. Based on the variable sensitivity, a distance metric is constructed to measure the disparity of different variable groups. Then, the sparsity-targeted sampling(STS) is proposed to formulate a representative dataset. Finally, the sequentially selected local weighted linear regression(SLWLR) is designed to achieve accurate track peeling strength prediction. Additionally, a quantitative cost assessment of the supplementary dataset is proposed by utilizing the minimum adjacent sample distance as a mediator. Experimental results validate the efficacy of sequential selection and the weighting mechanism in enhancing localization ***, the proposed SLWLR method surpasses similar approaches and other common surrogate methods in terms of prediction performance and data quantity requirements, achieving an average absolute error of 3.3 kN in the simulated test dataset.

关键词： slider track peeling strength surrogate model sensitivity analysis data sampling local weighted linear regression

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Analytical Solution and Simplified Formula for Added Mass of Horizontal and Vertical Motions of Truncated Cylinders Under Earthquake Action

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China Ocean Engineering 2024年第1期38卷 54-67页

作者： wang Pi-guang LYU Si-yu QU Yang ZHAO Mi DU Xiu-li State Key Laboratory of Bridge Engineering Safety and Resilience Beijing University of TechnologyBeijing 100124China Key Laboratory of Urban Security and Disaster Engineering of Ministry of Education Beijing University of Tech-nologyBeijing 100124China

This paper investigates the hydrodynamic characteristics of floating truncated cylinders undergoing horizontal and vertical motions due to earthquake excitations in the finite water *** governing equation of the hydrodynamic pressure acting on the cylinder is derived based on the radiation theory with the inviscid and incompressible *** governing equation is solved by using the method of separating variables and analytical solutions are obtained by assigning reasonable boundary *** analytical result is validated by a numerical model using the exact artificial boundary simulation of the infinite *** main variation and distribution characteristics of the hydrodynamic pressure acting on the side and bottom of the cylinder are analyzed for different combinations of wide-height and immersion *** added mass coefficient of the cylinder is calculated by integrating the hydrodynamic pressure and simplified formulas are proposed for engineering *** calculation results show that the simplified formulas are in good agreement with the analytical solutions.

关键词： earthquake hydrodynamic pressure truncated cylinder added mass simplified formula

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The adsorption effect of aquaculture residual feed on heavy metals and its impact on microbial metabolism of feed

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Ecological Processes 2024年第2期13卷 246-259页

作者： Sufeng wang Zijng wang wen Zhang Jingshan Li Mingyang Lin Li Chen State Key Laboratory of Metastable Materials Science and Technology Hebei Key Laboratory of Heavy Metal Deep-Remediation in Water and Resource Reuse Yanshan University Key Laboratory of Pollution Exposure and Health Intervention of Zhejiang Province College of Biology and Environmental EngineeringZhejiang Shuren University Hebei Ocean & Fisheries Science Research Institute

Background Intensive and large-scale aquaculture has a high biological density, and a large amount of artificial feed must be provided. As a result, residual feed would be discharged into natural water bodies with water exchange. Due to heavy metal pollution in surface water, residual feed may adsorb heavy metals in the water, affecting the subsequent microbial degradation of feed and the restoration of the water environment. The combined ecological impacts of these two types of pollution urgently need to be *** This study explored the adsorption effect of residual feed on heavy metals and its impact on microbial degradation of residual feed. The results showed that both the insoluble component（mainly fiber, ash, and ether extract, abbreviated as FAE） and soluble component（soluble protein and starch） of the feed had adsorption effects on heavy metals. As the salinity increased, the adsorption capacity of Cu2+and Cd2+decreased, while the adsorption effect on Pb2+was not changed significantly. The adsorption of heavy metals by residual feed could affect the biological degradation of residual feed. The residual feed could adsorb heavy metals and bacterial cells simultaneously, forming FAE-B（bacteria）-S（starch）-Pr（protein）-metal adsorption complex. This adsorption effect could reduce the negative impact of heavy metals on microbial degradation of residual feed. The simulated degradation experiments in actual water bodies also confirmed this. However, the accumulation of heavy metals in residual feed may bring negative effects, such as being consumed by aquatic organisms and entering the food *** The results of this study provide a basis for the collection and centralized treatment of residual feed in aquaculture, as well as the control and remediation of residual feed pollution in natural water bodies.

关键词： Residual feed Adsorption complex Feed pollution Heavy metal

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Adaptive joint configuration optimization for collaborative inference in edge-cloud systems

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Science China(Information Sciences) 2024年第4期67卷 335-336页

作者： Zheming YANG wen JI Zhi wang Institute of Computing Technology Chinese Academy of Sciences University of Chinese Academy of Sciences Peng Cheng Laboratory Tsinghua Shenzhen International Graduate School Tsinghua University

With the rapid development of technologies such as deep learning and the Internet of Things(IoT), the deployment and application of various IoT devices are becoming increasingly widespread, resulting in the inference tasks generated increasing dramatically [1]. Many deep neural network(DNN) models are deployed on servers for performing inference tasks.

关键词： Inference engines

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Beam based alignment using a neural network

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Nuclear Science and Techniques 2024年第4期35卷 108-118页

作者： Guan-Liang wang Ke-Min Chen Si-Wei wang Zhe wang Tao He Masahito Hosaka guang-Yao Feng Wei Xu National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China Diamond Light Source Oxfordshire OX110DEUK

Beams typically do not travel through the magnet centers because of errors in storage *** beam deviating from the quadrupole centers is affected by additional dipole fields due to magnetic field ***-based alignment(BBA)is often performed to determine a golden orbit where the beam circulates around the quadrupole center *** storage rings with many quadrupoles,the conventional BBA procedure is time-consuming,particularly in the commissioning phase,because of the necessary iterative *** addition,the conventional BBA method can be affected by strong coupling and the nonlinearity of the storage ring *** this study,a novel method based on a neural network was proposed to determine the golden orbit in a much shorter time with reasonable *** golden orbit can be used directly for operation or adopted as a starting point for conventional *** method was demonstrated in the HLS-II storage ring for the first time through simulations and online *** results of the experiments showed that the golden orbit obtained using this new method was consistent with that obtained using the conventional *** development of this new method and the corresponding experiments are reported in this paper.

关键词： Golden orbit Beam-based alignment Neural network Storage ring

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Improving Thermal-oxidative Aging Resistance of Styrene-butadiene Rubber by Antioxidant Loaded Silica Aerogel

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Chinese Journal of Polymer Science 2024年第8期42卷 1198-1209页

作者： Xue-Fei Ping Yu wang Lu Liu Fu-Yong Liu Hong-Wei He Pi wang wen-wen Yu Qiang Zheng College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan 030024China Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030032China Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and EngineeringZhejiang UniversityHangzhou 310058China

The antioxidant N-isopropyl-N'-phenyl-p-phenylenediamine(4010NA)was dissolved in ethanol and impregnated into silica aerogel(SAG)via vacuum-pressure cycles,yielding composite particles(A-N)with enhanced sustained-release and reinforcing *** effect of A-N on the mechanical properties and thermal-oxidative aging resistance of styrene-butadiene rubber(SBR)vulcanizates was *** and BET assessments indicated that the loading efficiency of 4010NA in SAG reached 14.26%within ethanol's solu bility *** A-N into SBR vulcanizates significantly elevated tensile strength by 17.5%and elongation at break by 41.9%over those with fumed silica and ***,A-N notably enhanced the thermal-oxidative aging resistance of *** aging for 96 h at 100℃,the tensile strength and elongation at break of SBR with A-N sustained 70.09%and 58.61%of their initial values,respectively,with the retention rate of elongation at break being 62.8%higher than that of SBR with fumed silica and free *** study revealed that A-N composite particles significantly inhibited the crosslinking in SBR's molecular chains,reducing hardening and embrittlement during later thermal-oxidative aging stages.

关键词： Styrene-butadiene rubber Silica aerogel Loading modification Thermal-oxidative aging

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Comparison of Measurements for Enhanced Diffusion Problem in Chemical Reaction Systems

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Chinese Journal of Chemistry 2024年第14期42卷 1659-1664页

作者： Ah-Young Jee Ziyang wen Huan wang Beijing National Laboratory for Molecular Sciences College of Chemistry and Molecular EngineeringBeijing Key Laboratory of Polymer Chemistry&Physics of Ministry of EducationPeking UniversityBeijing100871 China

The problem of molecular diffusion in the soup of chemical reactions attracts mounting interest across fields ranging from chemistry to biophysics to material *** reactions involve bond breakup and formation,whose time scale is typically on the orders of fs to ps,while molecular diffusion occurs at time scales ofμs to *** two processes are often considered orthogonal,given the vastly different *** serial results show that the enzyme's diffusion is enhanced in a substrate-dependent manner,which was further extended to small molecule reaction systems,challenging this classical ***,the results from different groups using different techniques do not quantitatively agree,and a general mechanism is yet to be *** summarize experimental studies on diffusion problems and seek to reconcile the interpretation with understanding the limits of measurement tools and the chemical nature of reaction *** molecular diffusion in chemical reactions will provide fresh thoughts in designing chemical systems such as molecular machines that harvest work at the nanoscale in a controllable manner.

关键词： Molecular diffusion Chemical reactions Enzyme reactions Active matter Diffusion measurements Single-molecule studies Fluorescence Time-resolved spectroscopy

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Geophysical prediction of organic matter abundance in source rocks based on geochemical analysis:A case study of southwestern Bozhong Sag,Bohai Sea,China

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Petroleum Science 2024年第1期21卷 31-53页

作者： Xiang wang guang-Di Liu Xiao-Lin wang Jin-Feng Ma Zhen-Liang wang Fei-Long wang Ze-Zhang Song Chang-Yu Fan State Key Laboratory of Petroleum Resources and Prospecting China University of Petroleum(Beijing)Beijing102249China College of Geosciences China University of Petroleum(Beijing)Beijing102249China State Key Laboratory of Continental Dynamics Northwest UniversityXi'an710069ShaanxiChina Department of Geology Northwest UniversityXi'an710069ShaanxiChina CNOOC Tianjin Branch Company Tianjin300459China

The Bozhong Sag is the largest petroliferous sag in the Bohai Bay Basin,and the source rocks of Paleogene Dongying and Shahejie Formations were buried *** of the drillings were located at the structural high,and there were few wells that met good quality source rocks,so it is difficult to evaluate the source rocks in the study area precisely by geochemical analysis *** on the Rock-Eval pyrolysis,total organic carbon(TOC)testing,the organic matter(OM)abundance of Paleogene source rocks in the southwestern Bozhong Sag were evaluated,including the lower of second member of Dongying Formation(E_(3)d2L),the third member of Dongying Formation(E_(3)d_(3)),the first and second members of Shahejie Formation(E_(2)s_(1+2)),the third member of Shahejie Formation(E_(2)s_(3)).The results indicate that the E_(2)s_(1+2)and E_(2)s_(3)have better hydrocarbon generative potentials with the highest OM abundance,the E_(3)d_(3)are of the second good quality,and the E_(3)d2L have poor to fair hydrocarbon generative ***,the well logs were applied to predict TOC and residual hydrocarbon generation potential(S_(2))based on the sedimentary facies classification,usingΔlogR,generalizedΔlogR,logging multiple linear regression and BP neural network *** various methods were compared,and the BP neural network method have relatively better prediction *** on the pre-stack simultaneous inversion(P-wave impedance,P-wave velocity and density inversion results)and the post-stack seismic attributes,the three-dimensional(3D)seismic prediction of TOC and S_(2)was carried *** results show that the seismic near well prediction results of TOC and S_(2)based on seismic multi-attributes analysis correspond well with the results of well logging methods,and the plane prediction results are identical with the sedimentary facies map in the study *** TOC and S_(2)values of E_(2)s_(1+2)and E_(2)s_(3)are higher than those in E_(3)d_(3)and E_(3)d_(2)L,basicall

关键词： Total organic carbon(TOC) Residual hydrocarbon generation potential(S_(2)) Geophysical prediction Seismic attribute Bozhong Sag Bohai Bay Basin

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Community structure and species diversity dynamics of a subtropical evergreen broad-leaved forest in China:2005 to 2020

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Plant Diversity 2024年第1期46卷 70-77页

作者： Shi-guang Wei Lin Li Kun-Dong Bai Zhi-Feng wen Jing-Gang Zhou Qin Lin Key Laboratory of Ecology of Rare and Endangered Species and Environmental Protection(guangxi Normal University) Ministry of EducationGuilin 541004GuangxiChina School of Life&Environmental Sciences Guilin University of Electronic TechnologyGuilin 541004GuangxiChina guangxi Key Laboratory of Landscape Resources Conservation and Sustainable Utilization in Lijiang River Basin Guilin 541004GuangxiChina Key Laboratory of Vegetation Restoration and Management of South China Botanical Garden of Degraded Ecosystems Chinese Academy of SciencesGuangzhou 510650GuangdongChina Center of Plant Ecology Core Botanical GardensChinese Academy of SciencesGuangzhou 510650GuangdongChina

Here,we characterize the temporal and spatial dynamics of forest community structure and species diversity in a subtropical evergreen broad-leaved forest in *** found that community structure in this forest changed over a 15-year ***,renewal and death of common species was large,with the renewal of individuals mainly concentrated within a few populations,especially those of Aidia canthioides and Cryptocarya *** numbers of individual deaths for common species were concentrated in the small and mid-diameter *** spatial distribution of community species diversity fluctuated in each monitoring period,showing a more dispersed diversity after the 15-year study period,and the coefficient of variation on quadrats *** 2010,the death and renewal of the community and the spatial variation of species diversity were different compared to other survey *** weather may have affected species regeneration and community stability in our subtropical monsoon evergreen broad-leaved *** findings suggest that strengthening the monitoring and management of the forest community will help better understand the long-and short-term causes of dynamic fluctuations of community structure and species diversity,and reveal the factors that drive changes in community structure.

关键词： Community structure Death and renewal dynamics Species diversity dynamics South subtropical forest

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