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Edge and lithium concentration effects on intercalation kinetics for graphite anodes

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Journal of Energy Chemistry 2024年第3期90卷 337-347,I0009页

作者： Keming zhu Denis Kramer Chao Peng School of Mechanical and Precision Instrument Engineering Xi'an University of TechnologyXi'an 710048ShanxiChina Faculty of Mechanical Engineering Helmut-Schmidt UniversityHamburg 22043Germany School of Engineering University of SouthamptonSouthampton SO171BJUK Multiscale Crystal Materials Research Center Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055GuangdongChina

Graphite interfaces are an important part of the anode in lithium-ion batteries(LIBs),significantly influencing Li intercalation *** anodes adopt different stacking sequences depending on the concentration of the intercalated Li *** this work,we performed first-principles calculations to comprehensively address the energetics and dynamics of Li intercalation and Li vacancy diffusion near the no n-basal edges of graphite,namely the armchair and zigzag-edges,at high Li *** find that surface effects persist in stage-Ⅱ that bind Li strongly at the edge ***,the pronounced effect previously identified at the zigzag edge of pristine graphite is reduced in LiC_(12),penetrating only to the subsurface site,and eventually disappearing in LiC_(6).Consequently,the distinctive surface state at the zigzag edge significantly impacts and restrains the charging rate at the initial lithiation of graphite anodes,whilst diminishes with an increasing degree of *** diffusion time for Li hopping to the bulk site from either the zigzag edge or the armchair edge in LiC_(6) was observed during high state of charge due to charge *** controlling Li occupation and diffusion kinetics at this stage is also crucial for enhancing the charge rate.

关键词： Graphite anode Edge Interface Lithium-ion batteries Density functional theory

Incorporating contextual evidence to improve implicit discourse relation recognition in Chinese

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Frontiers of Computer Science 2024年第3期18卷 91-104页

作者： Sheng XU Peifeng LI Qiaoming zhu School of Computer Science and Technology Soochow UniversitySuzhou 215000China

The discourse analysis task,which focuses on understanding the semantics of long text spans,has received increasing attention in recent *** a critical component of discourse analysis,discourse relation recognition aims to identify the rhetorical relations between adjacent discourse units(e.g.,clauses,sentences,and sentence groups),called arguments,in a *** works focused on capturing the semantic interactions between arguments to recognize their discourse relations,ignoring important textual information in the surrounding ***,in many cases,more than capturing semantic interactions from the texts of the two arguments are needed to identify their rhetorical relations,requiring mining more contextual *** this paper,we propose a method to convert the RST-style discourse trees in the training set into dependency-based trees and train a contextual evidence selector on these transformed *** this way,the selector can learn the ability to automatically pick critical textual information from the context(i.e.,as evidence)for arguments to assist in discriminating their *** we encode the arguments concatenated with corresponding evidence to obtain the enhanced argument ***,we combine original and enhanced argument representations to recognize their *** addition,we introduce auxiliary tasks to guide the training of the evidence selector to strengthen its selection *** experimental results on the Chinese CDTB dataset show that our method outperforms several state-of-the-art baselines in both micro and macro F1 scores.

关键词： discourse parsing discourse relation recognition contextual evidence selection

Controllable chemical redox reactions to couple microbial degradation for organic contaminated sites remediation:A review

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Journal of Environmental Sciences 2024年第5期139卷 428-445页

作者： Bin Chen Jiang Xu Lizhong zhu College of Environmental and Resource Sciences Zhejiang UniversityHangzhou 310058China Zhejiang Provincial Key Laboratory of Organic Pollution Process and Control Zhejiang UniversityHangzhou 310058China Zhejiang Agriculture&Forest University Lin'an 311300China

Global environmental concern over organic contaminated sites has been progressively conspicuous during the process of urbanization and industrial *** traditional physical or chemical remediation technologies may significantly destroy the soil structure and function,coupling moderate chemical degradation with microbial remediation becomes a potential way for the green,economic,and efficient remediation of contaminated ***,this work systematically elucidates why and how to couple chemical technology with microbial remediation,mainly focused on the controllable redox reactions of organic *** rational design of materials structure,selective generation of reactive oxygen species,and estimation of degradation pathway are described for chemical ***,current progress on efficient and selective reductions of organic contaminants(i.e.,dechlorination,defluorination,-NO_(2) reduction)is *** with the microbial remediation of contaminated sites,several consideration factors of how to couple chemical and microbial remediation are proposed based on both fundamental and practical points of *** review will advance the understanding and development of chemical-microbial coupled remediation for organic contaminated sites.

关键词： Soil remediation Groundwater remediation Rational design Reactive species Environmental nanotechnology

Dual-functional poly(2-methyl-2-oxazoline)/poly(2-(dimethylamine)ethyl methacrylate)mixed brushes with switchable protein adsorption and antibacterial properties

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Chinese Journal of Chemical Engineering 2024年第2期66卷 19-30页

作者： Kang He Liangyu zhu Yanmei Wang CAS Key Laboratory of Soft Matter Chemistry Department of Polymer Science and EngineeringUniversity of Science and Technology of ChinaHefei 230026China

Herein,binary mixed brushes consisting of poly(2-methyl-2-oxazoline)(PMOXA)and poly(2-(dimethylamine)ethyl methacrylate)(PDMAEMA)with different chain lengths were fabricated by successive grafting of NH_(2)-terminated PMOXA and SH-terminated PDMAEMA onto polydopamine-anchored *** mixed-brush coating was characterized by variable-angle spectroscopic ellipsometry,X-ray photoelectron spectroscopy,Fourier transform infrared spectroscopy,zeta potential measurements,water contact angle,and atomic force *** mixed brushes showed tunable surface charge,wettability,and surface roughness,depending on the degree of PDMAEMA swelling under varying pH and ionic strength(Ⅰ).Then the adsorption behaviors of pepsin,bovine serum albumin(BSA),γ-globulin,and lysozyme,four very different proteins with regard to isoelectric point,on the mixed brushes coating were studied by using fluorescence microscopy and surface plasmon *** the chain length of PDMAEMA was about twice as long as PMOXA,the mixed brushes not only had high adsorption capacity for pepsin,BSA,and y-globulin but also had a desorption efficiency of 86.9%,87.1%,and 93.5%,*** is explained that electrostatic attraction between the protonated PDMAEMA and positively charged acidic proteins(pepsin and BSA,whose isoelectric points were below the pK_(a) of PDMAEMA)would drive the intensive adsorption(at pH 3,I=10^(-3)mol·L^(-1)for pepsin,and pH 5,I=10^(-5)mol·L^(-1)for BSA),while desorption was dominated by the hydrophilic PMOXA when PDMAEMA was shrinking(at pH 7,I=10^(-1)mol·L^(-1)for pepsin,and pH 9,I=10^(-1)mol·L^(-1)for BSA).Furthermore,the isoelectric precipitation led to the adsorption of neutral protein(γ-globulin,whose isoelectric point was near the pK_a of PDMAEMA)at pH 7,I=10^(-5)mol·L^(-1),while electrostatic repulsion and antifouling PMOXA triggered the desorption of y-globulin at pH 3,I-10^(-1)mol·L^(-1).However,alkaline protein(lysozyme,whose isoelectric point was higher than

关键词： Switchable conformation transition Controllable protein adsorption Mixed brushes Isoelectric point Antibacterial surface

Heat Storage Performance of PCM in a Novel Vertical Pointer-Shaped Finned Latent Heat Tank

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Journal of Thermal Science 2024年第2期33卷 422-434页

作者： MAO Qianjun zhu Yuanyuan LI Tao School of Urban Construction Wuhan University of Science and TechnologyWuhan430065China

The heat storage performance of latent heat storage systems is not good due to the poor thermal conductivity of phase change *** this paper,a new type of pointer-shaped fins combining rectangular and triangular fins has been employed to numerically simulate the melting process in the heat storage tank,and the fin geometry parameter effects on heat storage performance have been *** results indicate that compared with the bare tube and the rectangular finned tank,the melting time of the phase change material in the pointer-shaped finned tank is reduced by 64.2%and 15.1%,*** closer the tip of the triangular fin is to the hot wall,the better the heat transfer *** optimal height of the triangular fin is about 8 *** the number of fins from 4 to 6 and from 6 to 8 reduces the melting time by 16.0%and 16.7%***,increasing the number of fins from 8 to 10 only reduces the melting time by 8.4%.When the fin dimensionless length is increased from 0.3 to 0.5 and from 0.5 to 0.7,the melting time is shortened by 17.5%and 13.0%.But the melting time is only reduced by 2.9%when the dimensionless fin length is increased from 0.7 to *** optimising the design of the thermal storage system,the results can provide a reference value.

关键词： thermal energy storage phase change material pointer-shaped fins heat storage performance

Compositional evolution for mixed aerosols containing gluconic acid and typical nitrate and the effect of multiply factors on hygroscopicity

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Journal of Environmental Sciences 2024年第5期139卷 206-216页

作者： Yue zhu Shufeng Pang Yunhong Zhang School of Chemistry and Chemical Engineering Beijing Institute of TechnologyBeijing 100081China

The aging process of atmospheric aerosols usually leads to a mixture of inorganic salts and organic compounds of anthropogenic *** organic compounds,polyhydroxy organic acids are important components,however,the study on composition and hygroscopic properties of the mixture containing inorganics and polyhydroxy organic acids is *** this study,gluconic acid,the proxy of polyhydroxy organic acids,is mixed with the representative nitrate(Mg(NO_(3))_(2),Ca(NO_(3))_(2))to form ***-FTIR and optical microscopy are employed to study the component changes and hygroscopicity as a function of relative *** relative humidity fluctuates,the FTIR-ATR spectra display that the internal mixed gluconic acid(CH_(2)(CH)_(4)(OH)_(5)COOH)and nitrate can react to release acidic gases,forming relevant gluconate and further affecting the *** specific presentation is particles cannot be recovered to their original size after the dehydration-hydration process and there will be some disparities in GF for mixed *** the gluconic acid-Ca(NO_(3))_(2)/Mg(NO_(3))_(2)mixtures with molar ratios of 1:1,higher degree of reaction resulting in the production of large amounts of gluconate should be responsible to the lower hygroscopicity compared to ZSR *** 1:2 gluconic acid-nitrate mixed systems(with higher nitrate content),the hygroscopicity of mixtures are higher than the ZSR prediction.A possible reason could be‘salt-promoting effect’on the organic fractions of the surplus inorganic salt in the *** data can improve the chemical composition list evaluation,in turn hygroscopic properties and phase state of atmospheric aerosol,and then the climate effect.

关键词： Hygroscopicity Gluconic acid Reaction ZSR simulation Size growth factors

Measuring Financial Systemic Risk:Net Liability Clearing Mechanism and Contagion Effect

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Journal of Systems Science & Complexity 2024年第3期37卷 1114-1146页

作者： MA Jiali zhu Shushang LI Duan College of Big Data Statistics Guizhou University of Finance and EconomicsGuiyang 550025China School of Business Sun Yat-Sen UniversityGuangzhou 510275China School of Data Science City University of Hong KongHong Kong 999077China

Following the framework of E-N model(Eisenberg and Noe,2001),the authors consider a new clearing mechanism based on net liabilities among financial institutions since the liabilities between the counterparties should be deducted accordingly when clearing in *** the basis for systemic risk measurement,similar to the original E-N model,the authors first establish some good properties for the clearing payment vector according to a more general ***,the authors investigate how risk spreads among institutions through the liability network forming the risk contagion ***,the authors illustrate with a specific example that the original E-N clearing mechanism may misidentify the systemic important institutions,and theoretically show that it may also overestimate the risk compared with the netting clearing mechanism.

关键词： Clearing mechanism contagion net liability network systemic risk

Morphology of impact fragmentation distribution of single spherical and ellipsoidal particles in drop weight experiments

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Particuology 2024年第3期86卷 137-148页

作者： Qiuhua Miao Peng Huang Wenchang zhu School of Mechanical Engineering Southeast UniversityNanjing211189China

Particle shape is an important factor affecting the fragmentation distribution of the ore *** investigate the influence of particle shape on the morphological fragmentation distribution characteristics,the crushable ore particles are defined as prolate,oblate ellipsoid and spherical particles,which have different aspect ratios(AR)and sphericity(S).Based on the drop weight experiment,the influence of the net drop height on the macroscopic mechanical behavior and crushing distribution characteristics of the single spherical and ellipsoidal particles is *** results show that different peak-shifting characteristics exist during particle *** fragmentation distribution peak shifts left when the increased impact energy is eventually only enough to break medium-sized ***,it shifts right when impact energy is increased enough to break largest-sized ***,regardless of whether the net drop height changes,the maximum continuous fragmentation degree presents"M"-shaped characteristic with the increased *** with the ellipsoid particles,the single spherical particle is more difficult to be broken by impact,with wider equivalent particle fragmentation *** the increase of particle sphericity,the maximum continuous fragmentation degree of a single ellipsoid particle has an overall trend of initial increase and subsequent *** when particle sphericity is 0.9

关键词： Ellipsoid particles Fragmentation distribution Drop weight experiment Numerical simulation

A General Simulation Method for Complex Deformation of Irregular-Shaped Origami Configurations

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Acta Mechanica Solida Sinica 2024年第1期37卷 90-98页

作者： Zhaochen Dong Yichao zhu Xu Guo State Key Laboratory of Structural Analysis for Industrial Equipment Department of Engineering MechanicsInternational Research Center for Computational MechanicsDalian University of TechnologyDalian 116023China

Most existing treatments for origami-folding simulations have focused on regular-shaped *** article aims to introduce a general strategy for simulating and analyzing the deformation process of irregular shapes by means of computational capabilities *** better simulate origami deformation with folding orders,the concept of plane follow-up is introduced to achieve automated computer simulation of complex folding patterns,thereby avoiding intersection and penetration between *** on the evaluation criteria such as the lowest storage energy with tightening and the fastest pace from tightening to unfolding,the optimal crease distribution patterns for four irregular(‘N’-,‘T’-,‘O’-,and‘P’-shaped)origami configurations are then presented under five *** the dimensions of the origami are fixed,it is discovered that simpler folding patterns lead to faster deformation of the origami *** the folding complexity is fixed,higher strain energy results in more rapid origami expansion.

关键词： Irregular-shaped origami Complex deformation Computer-aided origami design General simulation