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Data-driven rational design of single-atom materials for hydrogen evolution and sensing

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Nano Research 2024年第4期17卷 3352-3358页

作者： Lei Zhou Pengfei Tian Bowei Zhang fu-zhen xuan Shanghai Key Laboratory of Intelligent Sensing and Detection Technology East China University of Science and TechnologyShanghai 200237China School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China Key Laboratory of Pressure Systems and Safety of Ministry of Education East China University of Science and TechnologyShanghai 200237China

Herein we proposed a data-driven high-throughput principle to screen high-performance single-atom materials for hydrogen evolution reaction(HER)and hydrogen sensing by combing the theoretical computations and a topology-based multi-scale convolution kernel machine learning *** the rational training by 25 groups of data and prediction of all 168 groups of single-atom materials for HER and sensing,respectively,a high prediction accuracy(>0.931 R^(2) score)was achieved by our *** show that the promising HER catalysts include Pt atoms in C_(4) and Sc atoms in C_(1)N_(3) coordination ***,Y atoms in C_(4) coordination environment and Cd atoms in C_(2)N_(2)-ortho coordination environment were predicted with great potential as hydrogen sensing *** method provides a way to accelerate the discovery of innovative materials by avoiding the time-consuming empirical principles in experiments.

关键词： machine learning single-atom materials sensing hydrogen evolution

Single-atom Ni-N_(4)for enhanced electrochemical sensing

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Nano Research 2024年第8期17卷 7658-7664页

作者： Zhuhui Qin Bo Tang Guiru Zhang Chongqing Zhu Kun Jiang Bowei Zhang fu-zhen xuan Shanghai Key Laboratory of Intelligent Sensing and Detection Technology East China University of Science and TechnologyShanghai 200237China Key Laboratory of Pressure Systems and Safety of Ministry of Education East China University of Science and TechnologyShanghai 200237China School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China Key Laboratory of Theoretical and Computational Photochemistry Ministry of EducationCollege of ChemistryBeijing Normal UniversityBeijing 100875China Interdisciplinary Research Center School of Mechanical EngineeringShanghai Jiao Tong UniversityShanghai 200240China

Single-atom catalysts(SACs)attract widespread attention in heterogeneous catalysis due to their maximum atomic utilization efficiency and unique physical and chemical ***,their applications in chemical sensing keep huge potential but remain ***,a Ni-N_(4)-C SAC was synthesized for the trace detection of dopamine(DA)and uric acid(UA).The Ni-N_(4)-C SAC exhibited superior sensing performance compared to the Ni *** detection range for DA and UA were 0.05–75μM and 5–90μM with detection limits of 0.027 and 0.82μM,*** functional theory(DFT)computations indicate that Ni-N_(4)-C has a lower reaction barrier during electrochemical process,indicating that the atomic Ni sites possess higher intrinsic activity than Ni ***,DA and UA show strong potential dependency on the Ni-N_(4)-C catalyst,indicating its applicability for their concurrent *** work extends the application of SACs in chemical sensing.

关键词： single-atom catalysts chemical sensing dopamine uric acid

Numerical Studies of Estimation of Fracture Parameters for Mismatched Welded Joints with HAZ Cracks

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Journal of Iron and Steel Research(International) 2015年第9期22卷 846-851页

作者： Kun LING zheng-dong WANG fu-zhen xuan Key Laboratory of Pressure Systems and Safety Ministry of EducationEast China University of Science and Technology

An idealized tri-material assumption is established to describe the constitutive relationship of mismatched welded joints by considering the influence of heat affected zone（HAZ）.The fracture parameters Jand C＊are estimated for mismatched welded joints with HAZ cracks by finite element analysis with ABAQUS.A middle crack tension（M（T））specimen is utilized in the analysis for different material properties and geometries of the *** influence of mechanical property and geometry on the fracture parameters Jand C＊of the specimen is discussed for the welded joints with HAZ *** results suggest that the HAZ property is a significant factor in the estimation of Jand C＊for the mismatched welded joint with HAZ crack.

关键词： mismatched welded joint tri-material assumption heat affected zone(HAZ) J-integral C*parameter

Engineering high-performance dielectric chiral shells with enhanced chiral fields for sensitive chiral biosensor

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Rare Metals 2024年第3期43卷 1197-1206页

作者： Yi-Fan Wang Shan-Shan Huang zhen-Dong Dai Shi-Lin Xian xuan-Nan Wu fu-Hua Gao Yi-Dong Hou College of Physics Sichuan UniversityChengdu610065China Graduate School of Sichuan University Sichuan UniversityChengdu610065China

Chiral metamaterials have been a topic of significant research interest in recent years due to their potential for various applications in nanophotonic devices and chiral ***,the intrinsic Ohmic loss in surface plasmonic resonance has limited their practical use,resulting in large light dissipation and weak chiroptical ***,we report on the development of high-performance dielectric chiral shells(DCS)through a two-step Si deposition process on a self-assembled microsphere *** form DCS sample completely oyercomes the cancelation effect originated from the disorder property of the micro-sphere monolayer in macroscale,and at a wavelength of approximately 710 nm,the measured optimal chiral signal(g-factor)and transmittance can reach up to 0.7 and 0.3,*** strong chiroptical effect comes from the asymmetric circular displacement currents(i.e.,magnetic modes)enabled by the specific shell *** chiral shell geometry,electromagnetic properties,sensor sensitivity of chiral molecules and figure of merit are systematically *** DCSs demonstrate highly sensitive detection of chiral biomolecules owing to their easily accessible geometry and enhanced uniform chiral field.

关键词： Dielectric chiral shells(DCS) Si deposition Magnetic resonance Highly sensitive sensor Chiral field

Effects of Stress Level and Stress State on Creep Ductility:Evaluation of Different Models

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Journal of Materials Science & Technology 2016年第8期32卷 695-704页

作者： Jian-Feng Wen Shan-Tung Tu fu-zhen xuan Xue-Wei Zhang Xin-Lin Gao Key Laboratory of Pressure Systems and Safety (Ministry of Education) School of Mechanical and Power Engineering East China University of Science and Technology Department of Materials Science and Engineering Texas A&M UniversityCollege Station Department of Mechanical Engineering Southern Methodist University

The last few decades have witnessed an increasing emphasis on the development of strain-based ap- proach for predicting the creep life or damage of components operating at elevated temperatures. Creep ductility, as a key parameter in this approach, may vary with a number of factors including strain rate, state of stress, operating temperature, material microstructure, etc. The present paper, however, is focused on reviewing the state-of-the-art understanding of the effects of stress level and stress state on the creep ductility. Mechanisms involving the void growth and coalescence are presented to describe the role of stress level in the variation of uniaxial creep ductility. The prediction capacity of existing empirical duc- tility models is also assessed in light of uniaxial test data. On the other hand, a vast body of multiaxial creep test data, collected from open literature, is utilized to examine the influence of the state of stress on the creep ductility. Then, a variety of multiaxial ductility factor models are introduced and evaluated with the available experimental data. Finally, a brief discussion on the dependence of creep ductility on the stress triaxiality and Lode parameter, predicted by numerical methods, is provided.

关键词： Creep Creep ductility Multiaxial stress state Ductility exhaustion

Sedimentary Environment and Mineralization of the Black Shale Polymetallic Layer in the Early Cambrian,SW China:Constraints from in situ LA-ICP-MS Analysis of Pyrite

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Acta Geologica Sinica(English Edition) 2024年第2期98卷 416-429页

作者： YANG zhen fu Yong LI Chao CAI Xi GUO Chuan College of Eco-Environmental Engineering Guizhou Minzu UniversityGuiyang 550025China College of Resources and Environmental Engineering Guizhou UniversityGuiyang 550025China Key Laboratory of Karst Georesources and the Environment Ministry of EducationGuizhou UniversityGuiyang 500025China National Research Center for Geoanalysis Chinese Academy of Geological SciencesBeijing 100037China

A polymetallic layer is usually developed at the bottom of the early Cambrian black shale in Guizhou *** mineral that makes up the polymetallic layer is related to the sedimentary *** analyze the differentiation mechanism between polymetallic deposits(Ni-Mo and V),the Zhijin Gezhongwu profile located in the outer shelf and the Sansui Haishan V deposit located in the lower slope are selected to study the in situ sulfur isotopes and trace elements of *** results show that δ^(34)S values of pyrite vary widely from−7.8‰to 28‰in the Gezhongwu profile,while the δ^(34)S values are relatively uniform(from 27.8‰to 38.4‰)in the Haishan *** isotopic S composition is consistent with the transition that occurs in the sedimentary phase from the shelf to the deep sea on the transgressive Yangtze platform;this indicates that the δ^(34)SO_(4)^(2−)values in seawater must be differently distributed in depositional *** sulfur in the Ni-Mo layer is produced after the mixing of seawater and hydrothermal fluid,while the V layer mainly originates from ***,the Ni-Mo and V deposits have been differentiated primarily on the basis of the combined effect of continental weathering and hydrothermal fluid.

关键词： sedimentary environment black shale polymetallic layer pyrite early Cambrian

A comparative study on characteristics of retracted publications across different open access levels

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Journal of Data and Information Science 2024年第2期9卷 22-40页

作者： Er-Te zheng Hui-zhen fu Department of Information Resources Management School of Public AffairsZhejiang UniversityHangzhou 310058China School of Information Resource Management Renmin University of ChinaBeijing 100872China

Purpose:Recently,global science has shown an increasing open trend,however,the characteristics of research integrity of open access(OA)publications have rarely been *** aim of this study is to compare the characteristics of retracted articles across different OA levels and discover whether OA level influences the characteristics of retracted ***/methodology/approach:The research conducted an analysis of 6,005 retracted publications between 2001 and 2020 from the Web of Science and Retraction Watch *** publications were categorized based on their OA levels,including Gold OA,Green OA,and *** study explored retraction rates,time lags and reasons within these ***:The findings of this research revealed distinct patterns in retraction rates among different OA *** with Gold OA demonstrated the highest retraction rate,followed by Green OA and non-OA.A comparison of retraction reasons between Gold OA and non-OA categories indicated similar proportions,while Green OA exhibited a higher proportion due to falsification and manipulation issues,along with a lower occurrence of plagiarism and authorship *** retraction time lag was shortest for Gold OA,followed by non-OA,and longest for Green *** prolonged retraction time for Green OA could be attributed to an atypical distribution of retraction reasons.A comparative study on characteristics of retracted publications across different open access levels Research limitations:There is no exploration of a wider range of OA levels,such as Hybrid OA and Bronze *** implications:The outcomes of this study suggest the need for increased attention to research integrity within the OA *** occurrences offalsification,manipulation,and ethical concerns within Green OA publications warrant attention from the scientific ***/value:This study contributes to the understanding of research integrity in the realm of OA publications,she

关键词： Open access Retracted publications Reasons for retraction Retraction time lag Bibliometrics

Microstructural Evolutions and Mechanical Properties of Energetic Al_(1) (TiZrNbTaMoCr)_(15) High-Entropy Alloys

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Acta Metallurgica Sinica(English Letters) 2024年第4期37卷 620-632页

作者： xuan-Hong Cai zhen-Hua Wang Ben Niu Jin-Feng Li Qing Wang Show authors Key Laboratory of Materials Modification By Laser Ion and Electron Beams(Ministry of Education)Engineering Research Center of High Entropy Alloy Materials(Liaoning Province)School of Materials Science and EngineeringDalian University of TechnologyDalian116024China Institute of Materials China Academy of Engineering PhysicsMianyang621908China

The present study focuses on investigating the microstructural evolutions and mechanical properties of energetic Al_(1)(TiZrNbTaMoCr)_(15) refractory high-entropy alloys with the different heat treatments at low Al content state. It is found that even with a reduction in the Al content, the strength of these alloys remains unaffected at room temperature and high temperature, while the plasticity improves significantly. In particular, the coherent BCC/B_(2) microstructure with needle-like B_(2) nanoprecipitates dispersed into the BCC matrix is formed in 873 K-aged Al_(1)Ti_(6)Zr_(2)Nb_(3)Ta_(3)Mo_(0.5)Cr_(0.5) alloy. Therefore, this alloy exhibits the highest compression yield strength (σ_(YS) = 1333 and 717 MPa) at room temperature and 1073 K, respectively. After 973 K-aged, the coherent BCC/B_(2) microstructure underwent destabilization, and the B_(2) phase transforms into the brittle Zr5Al3 phase which then coarsens and dominates the microstructure of S3-AlTa_(3) alloy after 1073 K-aged. Moreover, these current alloys exhibit exceptionally high theoretical exothermic enthalpy (ΔH), surpassing 11606 J·g^(−1), which highlights their significant potential as innovative high-performance energetic structural materials.

关键词： Refractory high-entropy alloy Coherent microstructure Mechanical property Exothermic enthalpy

A New Industrial Intrusion Detection Method Based on CNN-BiLSTM

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Computers, Materials & Continua 2024年第6期79卷 4297-4318页

作者： Jun Wang Changfu Si zhen Wang Qiang fu College of Computer Science and Technology Shenyang University of Chemical TechnologyShenyang110142China

Nowadays,with the rapid development of industrial Internet technology,on the one hand,advanced industrial control systems(ICS)have improved industrial production ***,there are more and more cyber-attacks targeting industrial control *** ensure the security of industrial networks,intrusion detection systems have been widely used in industrial control systems,and deep neural networks have always been an effective method for identifying cyber *** intrusion detection methods still suffer from low accuracy and a high false alarm ***,it is important to build a more efficient intrusion detection *** paper proposes a hybrid deep learning intrusion detection method based on convolutional neural networks and bidirectional long short-term memory neural networks(CNN-BiLSTM).To address the issue of imbalanced data within the dataset and improve the model’s detection capabilities,the Synthetic Minority Over-sampling Technique-Edited Nearest Neighbors(SMOTE-ENN)algorithm is applied in the preprocessing *** algorithm is employed to generate synthetic instances for the minority class,simultaneously mitigating the impact of noise in the majority *** approach aims to create a more equitable distribution of classes,thereby enhancing the model’s ability to effectively identify patterns in both minority and majority *** the experimental phase,the detection performance of the method is verified using two data *** results show that the accuracy rate on the CICIDS-2017 data set reaches 97.7%.On the natural gas pipeline dataset collected by Lan Turnipseed from Mississippi State University in the United States,the accuracy rate also reaches 85.5%.

关键词： Intrusion detection convolutional neural network bidirectional long short-term memory neural network multi-head self-attention mechanism