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design of novel RGO/2d strip-like ZIF-8/dMAOP ternary hybrid structure towards high-efficiency microwave absorption, active and passive anti-corrosion, and synergistic antibacterial performance

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Nano Research 2024年第3期17卷 913-926页

作者： Tanlin Chen Yingrui Tian Zihao Guo yao Chen Qing Qi Fanbin Meng Key Laboratory of Advanced Technologies of Materials(Ministry of Education) School of Materials Science and EngineeringSouthwest Jiaotong UniversityChengdu 610031China Shenzhen Institute of Southwest Jiaotong University Shenzhen 518000China

In order to meet the requirements of the marine environment for microwave absorption(MA)materials,we put forward the strategy of constructing multi-functional composite materials,which integrate microwave absorption,anti-corrosion,and antibacterial ***,graphene oxide(GO)was used as a template to induce the growth of zeolitic imidazolate framework-8(ZIF-8),simultaneously as a two-dimensional(2d)nanocontainers to load corrosion inhibitors to achieve pH-responsive and self-healing ***,quaternary ammonium salt(dimethyl octadecyl(3-trimethoxylsilyl propyl)ammonium chloride(dMAOP))and sodium ascorbate(VCNa)were introduced to achieve synergistic antibacterial activity and the reduction of *** 2d strip-like structure of ZIF-8 was due to the confined growth induced by the electrostatic attraction between ZIF-8 and GO *** as-obtained reduced GO(RGO)/ZIF-8/dMAOP5 exhibited excellent microwave absorption(MA)properties,with a minimum reflection loss(RL)value of-47.08 dB at 12.73 GHz when the thickness was 2.8 ***,the effective absorption bandwidth reached 6.84 *** soaking in 3.5%NaCl solution for 35 days,the RGO/ZIF-8/dMAOP5-0.7%coating still achieved an impedance value of 4.585×107Ω·cm^(2) and a protective efficiency of 99.994%,providing superior anti-corrosion *** addition,fantastic antibacterial activity was obtained,with the antibacterial rates of RGO/ZIF-8/dMAOP_(10) reaching 99.39%and 100%against Escherichia coli and Staphylococcus *** work could open new avenues towards the development of a new generation of multifunctional MA materials.

关键词： two-dimensional(2d)strip-like zeolitic imidazolate framework-8(ZIF-8) microwave absorption active and passive anti-corrosion antibacterial

Accelerating the Screening of Modified MA_(2)Z_(4)Catalysts for Hydrogen Evolution Reaction by deep Learning-Based Local Geometric Analysis

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Energy & Environmental Materials 2024年第6期7卷 290-302页

作者： Jingnan Zheng Shibin Wang Shengwei deng Zihao yao Junhua Hu Jianguo Wang Institute of Industrial Catalysis State Key Laboratory Breeding Base of Green-Chemical Synthesis TechnologyCollege of Chemical EngineeringZhejiang University of TechnologyHangzhou 310032China School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China School of Materials Science and Engineering State Center for International Cooperation on Designer Low-Carbon&Environmental Materials(CDLCEM)Zhengzhou UniversityZhengzhou 450001China

Machine learning(ML)integrated with density functional theory(dFT)calculations have recently been used to accelerate the design and discovery of single-atom catalysts(SACs)by establishing deep structure–activity *** traditional ML models are always difficult to identify the structural differences among the single-atom systems with different modification methods,leading to the limitation of the potential application *** to the structural properties of several typical two-dimensional MA_(2)Z_(4)-based single-atom systems(bare MA_(2)Z_(4)and metal single-atom doped/supported MA_(2)Z_(4)),an improved crystal graph convolutional neural network(CGCNN)classification model was employed,instead of the traditional machine learning regression model,to address the challenge of incompatibility in the studied *** CGCNN model was optimized using crystal graph representation in which the geometric configuration was divided into active layer,surface layer,and bulk layer(ASB-GCNN).Through ML and dFT calculations,five potential single-atom hydrogen evolution reaction(HER)catalysts were screened from chemical space of 600 MA_(2)Z_(4)-based materials,especially V_(1)/HfSn_(2)N_(4)(S)with high stability and activity(Δ_(GH*)is 0.06 eV).Further projected density of states(pdOS)analysis in combination with the wave function analysis of the SAC-H bond revealed that the SAC-dz^(2)orbital coincided with the H-s orbital around the energy level of−2.50 eV,and orbital analysis confirmed the formation ofσ*** study provides an efficient multistep screening design framework of metal single-atom catalyst for HER systems with similar two-dimensional supports but different geometric configurations.

关键词： graph convolutional neural network hydrogen evolution reaction modified MA_(2)Z_(4)substrate single atom catalyst

High-precision modeling of tide-induced 3-d magnetic field and analysis of geomagnetic satellite orbit requirements

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Science China Earth Sciences 2024年第1期67卷 165-178页

作者： Zhengyong REN Cong YANG Hongbo yao Xu TANG Jingtian TANG Keke ZHANG Key Laboratory of Metallogenic Prediction of Nonferrous Metals and Geological Environment Monitoring Ministry of Education Central South UniversityChangsha 410083China Hunan Key Laboratory of Nonferrous Resources and Geological Hazards Exploration Changsha 410083China School of Geosciences and Info-Physics Central South UniversityChangsha 410083China State Key Laboratory of Lunar and Planetary Sciences Macao University of Science and TechnologyMacao 999078China

Ground-based magnetic observatories and geomagnetic satellites can observe the induced magnetic field generated by the motion of seawater containing sodium and chlorine *** the three-dimensional(3-d)spatial distribution of tide-induced magnetic fields(TIMF)is crucial for inverting the electrical conductivity structure of the oceanic *** also serves as an essential basis for designing optimal geomagnetic observatories and satellite ***,existing methods for simulating TIMF suffer from limitations in inaccurately modeling realistic coastlines,heterogeneous land and sea surface properties,and complex deep Earth structures,thereby the interpretational level of TIMF data is *** overcome this issue,we developed a tetrahedral-based finite element method for simulating TIMF,which can efficiently approximate realistic coastlines,heterogeneous land and sea surface properties,and complex deep Earth ***,we derived the boundary value problem for the seawater motion-induced electromagnetic field,which was solved using the vector finite element method based on tetrahedral ***,using the latest ocean depth and seafloor sediment layer models,we constructed a 3-d conductivity model of the Earth,which includes realistic coastlines,heterogeneous land and sea conductivity *** then computed the TIMF using the M_(2)tidal source as an example and validated our method by comparing it with results obtained from spherical harmonic finite element and integral equation ***,utilizing the computed high-precision M_(2),N_(2),and O1 TIMF signals,we marked global observatories capable of observing strong M_(2),N_(2),and O1 TIMF signals and predicted alternative stations suitable for tide signal ***,we calculated TIMF at heights of 450 and 200 km for the Macao Science Satellite 1 and its subsequent *** results indicate that the amplitude of the tidal-induced magnetic field at

关键词： Ocean motional induction Electromagnetic induction Ocean tides Geomagnetic satellite Macao Science Satellite 1

Cross-dimension Attentive Feature Fusion Network for Unsupervised Time-Series Anomaly detection

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Computer Modeling in Engineering & Sciences 2024年第6期139卷 3011-3027页

作者： Rui Wang yao Zhou Guangchun Luo Peng Chen dezhong Peng School of Computer Science and Engineering University of Electronic Science and Technology of ChinaChengdu611731China School of Computer and Software Engineering Xihua UniversityChengdu610039China School of Computer Science Sichuan UniversityChengdu610065China National Innovation Center for UHd Video Technology Chengdu610095China

Time series anomaly detection is crucial in various industrial applications to identify unusual behaviors within the time series *** to the challenges associated with annotating anomaly events,time series reconstruction has become a prevalent approach for unsupervised anomaly ***,effectively learning representations and achieving accurate detection results remain challenging due to the intricate temporal patterns and dependencies in real-world time *** this paper,we propose a cross-dimension attentive feature fusion network for time series anomaly detection,referred to as ***,a series and feature mixing block is introduced to learn representations in 1d ***,a fast Fourier transform is employed to convert the time series into 2d space,providing the capability for 2d feature ***,a cross-dimension attentive feature fusion mechanism is designed that adaptively integrates features across different dimensions for anomaly *** results on real-world time series datasets demonstrate that CAFFN performs better than other competing methods in time series anomaly detection.

关键词： Time series anomaly detection unsupervised feature learning feature fusion

A new fluorocarbon adhesive:Inhibiting agglomeration during combustion of propellant via efficient F-Al_(2)O_(3) preignition reaction

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Carbon Energy 2024年第6期6卷 292-305页

作者： Qifa yao Min Xia Chao Wang Fanzhi Yang Wei Yang Yunjun Luo School of Materials Science and Engineering Beijing Institute of TechnologyBeijingChina Key Laboratory of High Energy density Materials Ministry of EducationBeijing Institute of TechnologyBeijingChina School of Aerospace Engineering Beijing Institute of TechnologyBeijingChina Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijingChina

Inhibiting the agglomeration of molten aluminum particles packed in the binder network is a promising scheme to achieve efficient combustion of solid *** this investigation,the hydroxyl-terminated structured fluorinated alcohol compound(PFd)was introduced to modify the traditional polyethylene glycol/polytetrahydrofuran block copolymerization(HTPE)binder;that is,a unique fluorinated polyether(FTPE)binder was synthesized by embedding fluorinated organic segments into the HTPE binder via crosslinking *** FTPE was applied in aluminum-based propellants for the first *** to the complete release of fluorinated organic active segments in the range of 300℃to 400℃,the burning rate of FTPEbased propellant increased from 4.07(0%PFd)to 6.36 mm/s(5%PFd),increased by 56.27%under 1 *** reaction heat of FTPE propellants increased from 5.95(0%PFd)to 7.18 MJ/kg(5%PFd)under 3.0 MPa,indicating that HTPE binder modified with PFd would be conducive to inhibiting the d90 of condensed combustion products(CCPs)dropped by 81.84%from 75.46(0%PFd)to 13.71μm(5%PFd)under 3.0 MPa,in consistent with the significant reduction of aluminum agglomerates observed on the quenched burning surface of the *** results demonstrated that a novel FTPE binder with PFd can release fluorinated organic active segments,which motivate preignition reaction with the alumina shell in the early stage of aluminum combustion,and then enhance the melting diffusion effect of aluminum to inhibit the agglomeration.

关键词： agglomeration characteristics aluminum particles combustion fluorine alcohol compounds HTPE propellants

Multi-Material Topology Optimization of 2d Structures Using Convolutional Neural Networks

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Computer Modeling in Engineering & Sciences 2024年第8期140卷 1919-1947页

作者： Jiaxiang Luo Weien Zhou Bingxiao du daokui Li Wen yao College of Aerospace Science and Engineering National University of Defense TechnologyChangsha410073China defense Innovation Institute Chinese Academy of Military ScienceBeijing100071China Intelligent Game and decision Laboratory Chinese Academy of Military ScienceBeijing100071China

In recent years,there has been significant research on the application of deep learning(dL)in topology optimization(TO)to accelerate structural ***,these methods have primarily focused on solving binary TO problems,and effective solutions for multi-material topology optimization(MMTO)which requires a lot of computing resources are still ***,this paper proposes the framework of multiphase topology optimization using deep learning to accelerate MMTO *** framework employs convolutional neural network(CNN)to construct a surrogate model for solving MMTO,and the obtained surrogate model can rapidly generate multi-material structure topologies in negligible time without any *** performance evaluation results show that the proposed method not only outputs multi-material topologies with clear material boundary but also reduces the calculation cost with high prediction ***,in order to find a more reasonable modeling method for MMTO,this paper studies the characteristics of surrogate modeling as regression task and classification *** the training of 297 models,our findings show that the regression task yields slightly better results than the classification task in most ***,The results indicate that the prediction accuracy is primarily influenced by factors such as the TO problem,material category,and data ***,factors such as the domain size and the material property have minimal impact on the accuracy.

关键词： Multi-material topology optimization convolutional neural networks deep learning finite element analysis

Cycloaddition Reactions of Epoxides and CO_(2)Catalyzed by Bifunctional Rare-Earth Metal Complexes Bearing Amino-Bridged Tris(phenolato)Ligands

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Chinese Journal of Chemistry 2024年第14期42卷 1571-1581页

作者： Yongjie Chen Yanwei Wang Jun Nong dan Yuan Yingming yao Key Laboratory of Organic Synthesis of Jiangsu Province College of ChemistryChemical Engineering and Materials ScienceDushu Lake CampusSoochow UniversitySuzhouJiangsu215123 China

Eight zwitterionic rare earth metal complexes stabilized by amino-bridged tris(phenolato)ligands bearing quaternary ammonium side-arms were synthesized and *** complexes were used as single-component catalysts for the cycloaddition of CO_(2)and epoxides,and their catalytic activities are obviously higher than those of their binary *** studies revealed that the halide anions(Cl^(–),Br^(–),I^(–))and the metal complexes influenced the catalytic activity,and the lanthanum complex bearing iodide anion showed the highest catalytic activity for this addition reaction.A variety of mono-substituted epoxides were converted to cyclic carbonates in good to excellent yields(55%—99%)with high selectivity(>99%)at 30℃and 1 bar CO_(2),whereas internal epoxides required higher both reaction temperatures(60—120℃)and catalyst loading(2 mol%)for high *** catalyst was recyclable for four times without noticeable loss of catalytic *** on the results of kinetic studies and in℃situ IR reactions,a plausible reaction mechanism was proposed.

关键词： Bifunctional catalyst Carbon dioxide Cyclic carbonate Rare-earth metal Tris(phenolato)ligand Insertion Cycloaddition C1 building blocks

double-side role of short chain fatty acids on host health via the gut-organ axes

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Animal Nutrition 2024年第3期18卷 322-339页

作者： Yanan Gao Qianqian yao Lu Meng Jiaqi Wang Nan Zheng Key Laboratory of Quality&Safety Control for Milk and dairy Products of Ministry of Agriculture and Rural Affairs Institute of Animal SciencesChinese Academy of Agricultural SciencesBeijing 100193China Milk and Milk Products Inspection Center of Ministry of Agriculture and Rural Affairs Institute of Animal SciencesChinese Academy of Agricultural SciencesBeijing 100193China State Key Laboratory of Animal Nutrition Institute of Animal SciencesChinese Academy of Agricultural SciencesBeijing 100193China department of Food Science Faculty of Veterinary MedicineUniversity of LiègeLiège 4000Belgium

Short chain fatty acids(SCFA)exist in dietary foods and are produced by the fermentation of gut microbiota,and are considered an important element for regulating host *** blood circulation,SCFA produced in the gut and obtained from foods have an impact on the intestinal health as well as vital organs of the *** has been recognized that the gut is the“vital organ”in the *** the gut microbial metabolites,SCFA could create an“axis”connecting the gut and to other ***,the“gut-organ axes”have become a focus of research in recent years to analyze organism *** this review,we summarized the sources,absorption properties,and the function of SCFA in both gut and other peripheral tissues(brain,kidney,liver,lung,bone and cardiovascular)in the way of“gut-organ axes”.Short chain fatty acids exert both beneficial and pathological role in gut and other organs in various ways,in which the beneficial effects are more *** addition,the beneficial effects are reflected in both preventive and therapeutic *** importantly,the mechanisms behinds the gut and other tissues provided insight into the function of SCFA,assisting in the development of novel preventive and therapeutic strategies for maintaining the host health.

关键词： Short chain fatty acid Intestinal barrier Gut-organ axis Host health Beneficial effect Pathological effect

An investigation on topologies of hybrid manifold,impinging-jet nozzle and micro-pin-fin heat sinks

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Science China(Technological Sciences) 2024年第4期67卷 1061-1076页

作者： SHI QianLei yao XiaoLe LIU Qian QIN Le JU Xing XU Chao Key Laboratory of Power Station Energy Transfer Conversion and System of MOE North China Electric Power UniversityBeijing 102206China

The hybrid manifold micro-pin-fin(MMPF)heat sink combined nozzle jets is an option for large-scale integrated circuits(LSI).The demond for uniform and ultra-high heat flux removal by MMPF heat sink has not been adequately *** work aims to solve the problem of fluid *** proposed basic tiling topologies,including square,regular hexagon,30°rhombus,and 60°rhombus topologies,provide different organized fluid flows and heat transfer *** present study focuses on comparing these topologies according to independent porous medium parameters,such as nozzle pore size d_(Z),flow pore size d_(X,Y),and porosityε.The results show that the square topology achieves the smallest total thermal resistance R_(tot)value of0.0975×10^(-4)K m^2/W,while the hexagon topology achieved the highest value of COP/?T,which was 2033.9 K^(-1).According to the sensitivity analysis results,the optimal total thermal resistance can be obtained by balancing the influences of nozzle pore size,flow pore size,and *** optimal pressure drop can be obtained by maximizing the porosity.

关键词： heat sink ultra-high heat flux manifold micro-pin-fin impinging-jet topology