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Structural Properties of Ions and Polyelectrolytes in Aqueous Solutions under External Electric Fields:The Sign Effect

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Chinese Journal of Polymer Science 2024年第9期42卷 1341-1352,I0007页

作者： Cheng-Jiang Lin Jun-Jun Wang Yuan Jiang Shu-Li Chen Hong-Fei Li Wen-Han Zhao Qing-Rong Huang Chang-Ru Rong xiao-zheng duan State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei230026China National Key Laboratory of Advanced Vehicle Integration and Control China FAW Group Co.Ltd.Changchun130013China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai200438China Department of Food Science Rutgers University65 Dudley RoadNew BrunswickNew Jersey08901USA

We utilize molecular dynamics simulations to investigate the microstructures of ions and polyelectrolytes in aqueous solutions under external electric *** focusing on the multi-body interactions between ionic components and H_(2)O molecules,as well as their responses to the external electric fields,we clarify several nontrivial molecular features of the ionic and polyelectrolyte solutions,such as the solvations of cations and anions,clustering of the ions,and dispersions/aggregations of polyelectrolyte chains,as well as the corresponding responses of H_(2)O molecules in these *** simulations illustrate the variations in structures of ionic solutions caused by reversing the charge sign of the ions,and elucidate the disparity in structures between anionic and cationic polyelectrolyte solutions in the presence of the external electric *** work clarifies the mechanism for the alternations in complex multi-body interactions in aqueous solutions caused by the application electric field,which can contribute to the fundamental understanding of the physical and chemical natures of ion-containing and charged polymeric systems.

关键词： Polyelectrolyte Ions Aqueous solutions External electric fields Asymmetric dipole

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Statistics of Polymer Capture by a Nanopore:A Brownian Dynamics Simulation Study

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Chinese Journal of Polymer Science 2015年第5期33卷 674-679页

作者： Ming-ming Ding xiao-zheng duan 卢宇源石彤非 State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of Sciences

We investigate the statistics of polymer capture by a nanopore using Brownian dynamics simulations. It is found that when the velocity flux is greater than a critical velocity flux, the capture picture is a random selection process, otherwise it tends to a statistical process governed by energetic considerations. In addition, the chain ends capture probability decreases as the chain length increases and satisfies a power-law scaling of P0（N）-N^-0.8.

关键词： Polymer capture Critical velocity flux Brownian dynamics

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Joint Sample Position Based Noise Filtering and Mean Shift Clustering for Imbalanced Classification Learning

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Tsinghua Science and Technology 2024年第1期29卷 216-231页

作者： Lilong duan Wei Xue Jun Huang xiao zheng School of Computer Science and Technology Anhui University of TechnologyMaanshan 243032China Institute of Artificial Intelligence Hefei Comprehensive National Science CenterHefei 230088China

The problem of imbalanced data classification learning has received much *** classification algorithms are susceptible to data skew to favor majority samples and ignore minority *** weighted minority oversampling technique(MWMOTE)is an effective approach to solve this problem,however,it may suffer from the shortcomings of inadequate noise filtering and synthesizing the same samples as the original minority *** this end,we propose an improved MWMOTE method named joint sample position based noise filtering and mean shift clustering(SPMSC)to solve these ***,in order to effectively eliminate the effect of noisy samples,SPMsC uses a new noise filtering mechanism to determine whether a minority sample is noisy or not based on its position and distribution relative to the majority *** that MWMOTE may generate duplicate samples,we then employ the mean shift algorithm to cluster minority samples to reduce synthetic replicate ***,data cleaning is performed on the processed data to further eliminate class *** on extensive benchmark datasets demonstrate the effectiveness of SPMsC compared with other sampling methods.

关键词： imbalanced data classification oversampling noise filtering clustering

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Accurate Distinction of Weak and Strong AC Grids for Emerging Hierarchical-Infeed LCC-UHVDC Systems

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CSEE Journal of Power and Energy Systems 2024年第2期10卷 772-777页

作者： Hao xiao Xianzhong duan Yi Zhang Department of Electrical and Computer Engineering University of ManitobaWinnipeg R3T 2N2ManitobaCanada State Key Laboratory of Advanced Electromagnetic Engineering and Technology Hubei Electric Power Security and High Efficiency Key LaboratorySchool of Electrical and Electronic EngineeringHuazhong University of Science and TechnologyWuhan 430074HubeiChina RTDS Technologies Inc. Winnipeg R3T 2E1ManitobaCanada

Distinction of weak and strong AC grids for emerging hierarchical-infeed LCC-UHVDC systems is important for planning and operation departments. However, accuracy of earlier distinction methods is limited as they were developed by empirical reasoning without rigorous theoretical analysis. Hence in this letter, hierarchical-infeed interactive effective short-circuit ratio (HIESCR) index is first used for strength evaluation of HIDC systems with complex inter-inverter interactions considered. Boundary HIESCR (BHIESCR) is also introduced in the proposed distinction method of weak and strong AC grids. That is, weak (or strong) AC grids are, respectively, identified when HIESCR is less (or greater) than BHIESCR. Second, it is shown BHIESCR remains almost unchanged as 3.0 versus various system parameters and rated operation variables based on rigorous theoretical analysis. This salient feature makes the proposed method more accurate than earlier methods. Finally, the proposed method is validated by simulations based on the PSCAD/EMTDC program.

关键词： Hierarchical-Infeedinteractive effective short-circuit ratio hierarchical-infeed LCC-UHVDC systems inter-inverter interactions strong AC grids weak AC grids

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High-throughput screening of single-atom catalysts confined in monolayer black phosphorus for efficient nitrogen reduction reaction

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Nano Research 2024年第4期17卷 2360-2367页

作者： xiao-Yan Li Manyi duan Pengfei Ou Department of Electrical and Computer Engineering University of TorontoTorontoOntario M5S 1A4Canada School of Physics and Electronic Engineering Sichuan Normal UniversityChengdu 610101China Department of Chemistry Northwestern UniversityEvanstonIL 60208USA

The discovery of metal-nitrogen centers as the active sites for electrolysis has aroused significant interest in utilizing single-atom catalysts for nitrogen reduction reaction(NRR).Properly designed nanostructured catalysts that strongly interact with nitrogen molecules(N_(2))can promote adsorption and activation,thereby resulting in efficient catalysts with high stability,activity,and *** this study,using density functional theory calculations,we selected monolayer black phosphorus(BP)as the substrate and screened a series of single-atom transition metals confined in tri-coordinated and tetra-coordinated active centers(without and with N dopants)to electro-catalyze *** a result,we have identified two promising candidates(Hf_(1)-N_(1)P_(2)-1 and Tc_(1)-N_(4)),which exhibit not only low overpotentials of 0.56 and 0.49 V but also high thermodynamic and electrochemical stability,as well as good selectivity towards NRR over the competing hydrogen evolution *** also demonstrate the ability of Hf_(1)-N_(1)P_(2)-1 and Tc_(1)-N_(4) to activate and hydrogenate N_(2) by donating electrons and regulating charge *** study not only predicts new BP-based promising catalysts but also provides guidance for the rational design of high-performance NRR electrocatalysts under ambient conditions.

关键词： N_(2) electroreduction reaction single-atom catalysts black phosphorus density functional theory high-throughput calculations

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UAV swarm air combat maneuver decision-making method based on multi-agent reinforcement learning and transferring

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Science China(Information Sciences) 2024年第8期67卷 49-66页

作者： Zhiqiang zheng Chen WEI Haibin duan State Key Laboratory of Virtual Reality Technology and Systems School of Automation Science and Electrical Engineering Beihang University

During short-range air combat involving unmanned aircraft vehicle(UAV) swarms, UAVs must make accurate maneuver decisions based on information from both enemy and friendly UAVs. This dual requirement of competition and cooperation presents a significant challenge in the field of unmanned air combat. In this paper, a method based on multi-agent reinforcement learning(MARL) is proposed to address this issue. An actor network containing three subnetworks that can handle different types of situational information is designed. Hence, the results from simpler one-on-one scenarios are leveraged to enhance the complex swarm air combat training process. Separate state spaces for local and global information are designed for the actor and critic networks. A detailed reward function is proposed to encourage *** prevent lazy participants in air combat, a reward assignment operation is applied to distribute these dense rewards. Simulation testing and ablation experiments demonstrate that both the transfer operation and reward assignment operation can effectively deal with the swarm air combat scenario, and reflect the effectiveness of the proposed method.

关键词： UAV swarm short-range air combat multi-agent reinforcement learning reward assignment transfer

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Numerical investigation on dynamic response of the screen mesh in vibrating screening through DEM-FEM co-simulation

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Particuology 2024年第4期87卷 205-217页

作者： Huan Zhang xiao zheng Weimin Jing Key Laboratory of MetallurgicalEquipment and Control Technology Ministry of EducationWuhan University of Science and TechnologyWuhan430081 China Hubei Key Laboratory of Mechanical Transmssion and Manufacturing Engineering Wuhan University of Science and TechnologyWuhan430081China College of Mechanical and Vehicle Engineering Chongqing UniversityChongqing400044China

Dynamic response of the screen mesh is of great significance in the optimum vibrating screen *** this paper,based on the DEM-FEM co-simulation method,the effect of screening parameters on the dynamic response of the screen mesh is explored and the mechanism is revealed on the particle ***,a virtual experiment on a linear vibrating screen was carried out to analyze the screening pa-rameters'effect with both impact load and sustained stress inflicted on the screen ***,the time-domain evolution regularity of the screen mesh LVA(Local Vibration Amplitude)under different particle plugging conditions was investigated based on the ***,the influence of screening parameters on LVA and its distribution was *** results show that the screening parameters can greatly affect the screen mesh LVA and its distribution by changing the movement of the granular material and the particle penetration probability,which provides an important basis for the optimal design of the screen mesh and its supporting structure.

关键词： Vibrating screen Dynamic response DEM-FEM Screening parameters Local vibration amplitude

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A Trust Evaluation Mechanism Based on Autoencoder Clustering Algorithm for Edge Device Access of IoT

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Computers, Materials & Continua 2024年第2期78卷 1881-1895页

作者： xiao Feng zheng Yuan Cyber Security Academy Beijing University of Posts and TelecommunicationsBeijing100876China Department of Cyberspace Security Beijing Electronic Science and Technology InstituteBeijing100070China State Grid Info-Telecom Great Power Science and Technology Co. Ltd.Beijing102211China

First,we propose a cross-domain authentication architecture based on trust evaluation mechanism,including registration,certificate issuance,and cross-domain authentication processes.A direct trust evaluation mechanism based on the time decay factor is proposed,taking into account the influence of historical interaction *** weight the time attenuation factor to each historical interaction record for updating and got the new historical record *** refer to the beta distribution to enhance the flexibility and adaptability of the direct trust assessment model to better capture time trends in the historical *** we propose an autoencoder-based trust clustering *** perform feature extraction based on *** leibler(KL)divergence is used to calculate the reconstruction *** constructing a convolutional autoencoder,we introduce convolutional neural networks to improve training efficiency and introduce sparse constraints into the hidden layer of the *** sparse penalty term in the loss function measures the difference through the KL *** clustering is performed based on the density based spatial clustering of applications with noise(DBSCAN)clustering *** the clustering process,edge nodes have a variety of trustworthy attribute *** assign different attribute weights according to the relative importance of each attribute in the clustering process,and a larger weight means that the attribute occupies a greater weight in the calculation of ***,we introduced adaptive weights to calculate comprehensive trust *** experiments prove that our trust evaluation mechanism has excellent reliability and accuracy.

关键词： Cross-domain authentication trust evaluation autoencoder

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Crystalline-amorphous M@MN_x(M=Co,Fe,Ni)encapsulated in nitrogen-doped carbon for enhanced efficient and durable hydrogen evolution reaction

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Rare Metals 2024年第4期43卷 1547-1556页

作者： Yang Yang xiao-Chuan duan Shao-Hui Guo Xian-Ming Zhang College of Materials Science and Engineering College of ChemistryKey Laboratory of Interface Science and Engineering in Advanced MaterialsTaiyuan University of TechnologyYuci030600China

Developing earth-abundant electrocatalysts for hydrogen evolution reaction(HER)is important for the sustainable energy ***,efficient and stable heterocatalysts consisting of crystalline-amorphous M@MN_(x)(M=Co,Fe,Ni)encapsulated in N-doped carbon layers supported with N-doped graphene sheets(denoted as M@MN_(x)@NC-NG)are synthesized by facile hydrothermal reaction and nitridation *** the nitriding process,metal ions in M(tzbc)_2(H_(2)O)_4(tzbc=4-(1H-1,2,4-triazol-1-yl)benzoic acid)complexes are reduced to crystalline M cores,accompanied by the formation of amorphous MN_(x)shells;the tzbc ligands are insitu carbonized to form outermost N-doped carbon(NC)layers that connect with inner MN_(x)via M-N-C motifs inherited from the complex precursors and inhibit the transition of MN_(x)from amorphous to crystalline *** Co@CoN_(x)@NC-NG catalyst exhibits excellent HER activity with small overpotentials of 45 and 64 mV at a cathode current density of 10 mA·cm^(-2)and low Tafel slopes of 40 and 85 mV·dec^(-1)in 0.5 mol·L^(-1)H_(2)SO_4 and1.0 mol·L^(-1)KOH electrolytes,*** Co@CoN_(x)@NC-NG retains 97%of the initial overpotential after 100,000 s in both acidic and alkaline *** outstanding HER performance originates from the crystalline-amorphous Co@CoN_(x)that redistributes electrons around the heterointerfaces,facilitating the conversion process of H^(+)/H_(2)O to hydrogen and thereby promoting HER *** outermost NC layers serve as the armor of Co@CoN_(x),and graphene nanosheets act as carriers of egg-like Co@CoN_(x)@NC and conduction paths for electron shuttles,ensuring stable and continuous electrocatalytic hydrogen production.

关键词： Hydrogen evolution reaction Electrocatalysts Iron group metals Heterojunction Crystalline-amorphous structure

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Multi-timescale optimization scheduling of interconnected data centers based on model predictive control

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Frontiers in Energy 2024年第1期18卷 28-41页

作者： xiao GUO Yanbo CHE Zhihao zheng Jiulong SUN Energy Power Electrical Automation and Information EngineeringTianjin UniversityTianjin 300072China

With the promotion of“dual carbon”strategy,data center(DC)access to high-penetration renewable energy sources(RESs)has become a trend in the ***,the uncertainty of RES poses challenges to the safe and stable operation of DCs and power *** this paper,a multi-timescale optimal scheduling model is established for interconnected data centers(IDCs)based on model predictive control(MPC),including day-ahead optimization,intraday rolling optimization,and intraday real-time *** day-ahead optimization stage aims at the lowest operating cost,the rolling optimization stage aims at the lowest intraday economic cost,and the real-time correction aims at the lowest power fluctuation,eliminating the impact of prediction errors through coordinated multi-timescale *** simulation results show that the economic loss is reduced by 19.6%,and the power fluctuation is decreased by 15.23%.

关键词： model predictive control interconnected data center multi-timescale optimized scheduling distributed power supply/landscape uncertainty

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