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Computational Experiments for Complex Social Systems:Integrated Design of Experiment System

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IEEE/CAA Journal of Automatica Sinica 2024年第5期11卷 1175-1189页

作者： xiao Xue Xiangning Yu Deyu Zhou xiao wang Chongke Bi Shufang wang fei-Yue wang College of Intelligence and Computing Tianjin UniversityTianjin 300350China School of Software Shandong UniversityJinan 250101China School of Artificial Intelligence Anhui UniversityHefei 230601China School of Geographic and Environmental Sciences Tianjin Normal UniversityTianjin 300387China Institute of Automation Chinese Academy of Sciences Beijing 100190China

Powered by advanced information industry and intelligent technology,more and more complex systems are exhibiting characteristics of the cyber-physical-social systems(CPSS).And human factors have become crucial in the operations of complex social *** mechanical analysis and social simulations alone are powerless for analyzing complex social *** this backdrop,computational experiments have emerged as a new method for quantitative analysis of complex social systems by combining social simulation(e.g.,ABM),complexity science,and domain ***,in the process of applying computational experiments,the construction of experiment system not only considers a large number of artificial society models,but also involves a large amount of data and *** a result,how to integrate various data,model and knowledge to achieve a running experiment system has become a key *** paper proposes an integrated design framework of computational experiment system,which is composed of four parts:generation of digital subject,generation of digital object,design of operation engine,and construction of experiment ***,this paper outlines a typical case study of coal mine emergency management to verify the validity of the proposed framework.

关键词： artificial system operations

Surface Polarization Effects on Collapse Transition of Polyelectrolyte Brushes

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Chinese Journal of Polymer Science 2024年第9期42卷 1313-1320,I0006页

作者： xiao.fei Xu State Key Laboratory of Chemical Engineering and School of Chemical Engineering East China University of Science and TechnologyShanghai200237China

Polyelectrolyte brushes(PEBs)are commonly used to modify surface that have attracted great research *** dielectric permittivity of the grafted surface is typically significantly different from that of solution,which results in surface polarization(SP)effect with a jump of electric *** is thus important to study how SP alters the PEB’s structure and *** this work,the SP effects on PEB structure was studied using a statistical thermodynamic *** free energy functional to describe SP effect was constructed by using the image-charge ***,the electrostatic potential was solved from a modified Poisson-Boltzmann equation taking the ion solvation effect into *** the absence of SP,the thickness of PEB exhibited a continuous collapse transition when decreasing the solvent *** the presence of SP,the collapse became a jump-like *** energy analysis showed that the long-range Coulombic interaction dominated the transition because of the enhanced counterion condensation in the presence of *** theory provides an effective tool to study SP effect on PEBs,and the results explain the underlying physics in PEB collapse transition.

关键词： Surface polarization Polyelectrolyte brush Image charge Ion solvation Polyelectrolyte collapse transition

Progress and challenges of electrolyte modulation in aqueous zinc-ion batteries

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Rare Metals 2024年第7期43卷 2940-2967页

作者： Qi-Hang Yang Lu-fei wang xiao-Yu wang Meng-Meng Zhen Tianjin Key Laboratory of Clean Energy and Pollution Control School of Energy and Environmental EngineeringHebei University of TechnologyTianjin 300071China

As a new type of green battery system,aqueous zinc-ion batteries(AZIBs)have gradually become a research hotspot due to their low cost,high safety,excellent stability,high theoretical capacity(820 mAh·g^(-1))of zinc anode,and low redox potential(-0.76 V *** hydrogen electrode(SHE)).AZIBs have been expected to be an alternative to lithium-ion batteries for large-scale commercial energy storage ***,they are facing thorny issues such as degradation of cycling performance,zinc dendrites,and side *** the same time,these problems cause short cycling life of batteries,thus severely limiting their commercial *** recent years,many more researches have been conducted on the modification of anode and cathode materials of AZIBs,but there is a lack of in-depth discussion on the characteristics and mechanism of electrolyte *** this review,we will make a systematic summary of the current problems with two electrodes in AZIBs,as well as the types and functions of electrolyte ***,we further systematically describe the modulation mechanism of electrolyte additives in the performance of the cathode and *** prospects and development directions of additive modulation strategies for AZIBs electrolytes are prospected.

关键词： Electrolyte additives Aqueous zinc-ion batteries Zinc anode protection Cathode chemistry

Highly active and durable core-shell electrocatalysts for proton exchange membrane fuel cells

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Nano Research 2024年第10期17卷 8772-8784页

作者： Hsiwen Wu fei xiao Jing wang Meng Gu Minhua Shao Department of Chemical and Biological Engineering The Hong Kong University of Science and TechnologyClear Water BayHong KongChina Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen 518055China Fok Ying Tung Research Institute The Hong Kong University of Science and TechnologyGuangzhou 511458China Energy Institute and Chinese National Engineering Research Center for Control&Treatment of Heavy Metal Pollution The Hong Kong University of Science and TechnologyClear Water BayHong KongChina

This work presents simple post-treatment methods to selectively and partially remove the Pd core of Pd-Pt core–shell(Pt@Pd/C)*** proton exchange membrane fuel cell with the post-treated Pt@Pd/C cathode(Pt loading:0.10 mg·cm^(-2))delivers an impressive peak power density of 1.2 W·cm^(-2).The partial removal of Pd core endows an ultrahigh oxygen reduction reaction(ORR)mass activity of 0.32 A·g_(PGM)-1 when normalized to the platinum group metal(PGM)mass,or equivalently 0.55 A·mg_(Pt)^(-1) at 0.9 V measured in a fuel *** post-treatment thickens the Pt shells and mitigates the Pd dissolution during potential *** a result,the post-treated core-shell catalyst demonstrates superior durability in ORR mass activity and polarization power density retention than untreated core-shell catalyst and benchmark Pt/***-situ inductively coupled plasmamass spectrometry(ICP-MS)results highlight that the amount of dissolved Pd in post-treated core–shell catalyst is 17-times lower than that of the untreated *** findings highlight the importance of structural tuning of catalysts in enhancing their mass activity and durability.

关键词： core-shell catalyst platinum monolayer proton exchange membrane fuel cell oxygen reduction reaction durability

On the Factors Influencing the High Stretch-Flangeability of a Low-Density 1180 MPa Fe-Mn-Al-C-Nbδ-QP Steel

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Acta Metallurgica Sinica(English Letters) 2024年第8期37卷 1291-1300页

作者： Dan‑Dan Cui Peng Chen Peng‑fei wang xiao‑Wu Li Department of Materials Physics and Chemistry School of Materials Science and Engineeringand Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education)Northeastern UniversityShenyang 110819China State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang 110819China

Low-densityδ-quenching and partitioning(δ-QP)steels with excellent strength and ductility have been recently ***,there are still rare reports on the formability of δ-QP steels,which are critical for satisfying the manufacture of structural parts during the application in automotive *** the present work,an 1180 MPa Fe–Mn–Al–C–Nbδ-QP steel with a high ductility was adopted for the stretch–flangeability ***δ-QP steel was developed by separated quenching and partitioning processes.A good hole expansion ratio(HER)of 34.9±0.9%was obtained in the quenched steel,but it has been further increased to 52.2%by the tempering *** improved stretch–flangeability was attributed to the enhanced austenite stability and deformation *** the one hand,the stability of austenite was increased by carbon partitioning during tempering,which reduced crack possibility via the suppression of the fresh martensite *** the other hand,the tempering treatment released the internal stress caused by martensitic transformation and reduced the difference in strength among different phases,resulting in an increase in the resistance to crack initiation and propagation.

关键词： Hole expansion ratio Low-densityδ-quenching and partitioning(δ-QP)steel Stretch-flangeability Austenite stability Deformation uniformity

Differentially-grown cobalt regulators cooperatively involved in the tandem catalysis for high-yield production of second amines

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Nano Research 2024年第4期17卷 2444-2450页

作者： Jinhui Xu xiao wang Ying wang fei wang Lingling Zhang Wenjie Cui Shuyan Song Hongjie Zhang State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China Department of Chemistry Tsinghua UniversityBeijing 100084China

One-pot tandem catalysis has been regarded as one of the most atomic economic ways to produce secondary amines,the important platform molecules for chemical synthesis and pharmaceutical manufacture,but it is facing serious issues in overall *** promotional effects are highly desired for boosting the activity and regulating the selectivity of conventional tandem *** this work,we report a high-performance tandem catalyst with maximized synergistic effect among each counterpart by preciously manipulating the spatial structure,which involves the active CeO_(2)/Pt component as kernel,the densely-coated N-doped C(NC)layer as selectivity controller,and the differentially-grown Co species as catalytic performance *** comprehensive investigations,the unique growth mechanism and the promotion effect of Co regulators are ***,the surface-landed Co clusters(Cocs)are crucial to selectivity by altering the adsorption configuration of benzylideneaniline ***,the inner Co particles(Cops)are essential for activity by denoting their electrons to neighboring *** from the unique promotion effect,a remarkably-improved catalytic efficiency(100%nitrobenzene conversion with 94%N-benzylaniline selectivity)is achieved at a relatively low temperature of 80℃,which is much better than that of CeO_(2)/Pt(100%nitrobenzene conversion with 12%N-benzylaniline selectivity)and CeO_(2)/Pt/NC(35%nitrobenzene conversion with 94%benzylideneaniline selectivity).

关键词： tandem catalysis CeO_(2) hierarchical structure heterogeneous catalyst dual-site materials

Dynamic manipulation of multimodal emission in Er^(3+)-activated non-core-shell structure for optical thermometry and information security

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Rare Metals 2024年第4期43卷 1702-1712页

作者： Xuan Liu Zi-Xia Lin Yin-Biao Shi xiao-Yan wang Ming-Ye Ding xiao.fei Yang College of Science Nanjing Forestry UniversityNanjing210037China Testing Center Yangzhou UniversityYangzhou225009China

Regulating luminescent dynamics of lanthanide-based luminescent materials via external stimuli is of great significance in the fields of optical thermometry and high-level ***,it is still a huge challenge to realize multimodal emissions with tunable color outputs from a single activator in simple structures via smart dynamic control of photon transition ***,we present a mechanistic strategy to achieve multimodal luminescence of Er^(3+)activators with color-switchable outputs in a non-core-shell *** the control of excitation dynamics(λ_(ex)=980,808,1532,377 nm),the population among the intermediate en ergy levels of Er^(3+)and the interaction between Er^(3+)and Yb^(3+)could be precisely modulated through energy transfer and migration processes,leading to the generation of colortunable multimodal luminescence upon diverse excitation modes(non-steady-state,single-/dual-wavelength steady,thermal activation).Inspired by its special luminescent performance,the as-obtained material exhibits great potential in noncontact thermometry,multimodal anticounterfeiting,and high-capacity information encryption by performing a series of proof-of-concept *** findings might provide a conceptual model to modulate the luminescent dynamics in a simple-structured system for the generation of color-adjustable multimodal emissions,which is convenient for the development of advanced luminescent materials toward versatile cuttingedge applications.

关键词： Lanthanide ions Multimodal emission Upconversion Downshifting Anti-counterfeiting Luminescent thermometry

Geographically and Temporally Weighted Regression in Assessing Dengue Fever Spread Factors in Yunnan Border Regions

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Biomedical and Environmental Sciences 2024年第5期37卷 511-520页

作者： ZHU xiao Xiang wang Song wang LI Yan fei ZHANG Ye Wu SU Xue Mei ZHAO xiao Tao National Key Laboratory of Intelligent Tracking and Forecasting for Infectious Diseases Chinese Center for Disease Control and PreventionBeijing 102211China Yunnan Institute of Parasitic Diseases Pu’er 665000YunnanChina

Objective This study employs the Geographically and Temporally Weighted Regression(GTWR)model to assess the impact of meteorological elements and imported cases on dengue fever outbreaks,emphasizing the spatial-temporal variability of these factors in border *** We conducted a descriptive analysis of dengue fever’s temporal-spatial distribution in Yunnan border *** annual data from 2013 to 2019,with each county in the Yunnan border serving as a spatial unit,we constructed a GTWR model to investigate the determinants of dengue fever and their spatio-temporal heterogeneity in this *** The GTWR model,proving more effective than Ordinary Least Squares(OLS)analysis,identified significant spatial and temporal heterogeneity in factors influencing dengue fever’s spread along the Yunnan ***,the GTWR model revealed a substantial variation in the relationship between indigenous dengue fever incidence,meteorological variables,and imported cases across different *** In the Yunnan border areas,local dengue incidence is affected by temperature,humidity,precipitation,wind speed,and imported cases,with these factors’influence exhibiting notable spatial and temporal variation.

关键词： Dengue fever Meteorological factor Geographically and temporally weighted regression

Characteristics and stability of oxide+carbonitride in H13 steel at 1250℃

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Journal of Iron and Steel Research International 2024年第1期31卷 134-142页

作者： xiao-lin Sun Han-jie Guo Jing Guo fei wang Dong Xu Gao-yang Song Shuai wang School of Materials Science and Engineering Hebei University of EngineeringHandan056038HebeiChina School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing100083China High Temperature Materials Research Institute Central Iron and Steel Research Institute Co.Ltd.Beijing100081China Technology Innovation Center for High Quality Cold Heading Steel of Hebei Province Hebei University of EngineeringHandan056038HebeiChina

The morphology,size,quantity,and composition of complex oxide+carbonitride in H13 steel held at 1250℃for 5,10,and 15 h were *** results show that the ratio and number of complex carbonitrides with cores in H13 steel are gradually increased when holding at 1250℃compared with those in the original H13 steel,and the core size *** are one or more oxide cores in(Ti_(x),V_(1-x))(Cy,N_(1-y)),including xCaO·zAl_(2)O_(3),xCaO·yMgO·zAl_(2)O_(3),and CaO after holding at 1250℃,in addition to MgO·Al_(2)O_(3)and Al_(2)O_(3)in the original *** equilibrium temperature for(Ti_(x),V_(1-x))(Cy,N_(1-y))precipitation at the solidification front and decomposition in the solid state was theoretically analyzed,which was affected by the x value and the product of Ti and N contents in H13 ***,the composition of(Ti_(x),V_(1-x))(Cy,N_(1-y))is influenced by the oxide *** is convinced that(Ti_(x),V_(1-x))(Cy,N_(1-y))with oxide cores has a higher stability,especially for oxides with a high Al_(2)O_(3)*** treatment at high temperature facilitates a more reasonable analysis of oxide+carbonitride,and the generation mechanism of oxide+carbonitride was discussed.

关键词： Complex carbonitride Decomposition Oxide core Characteristic Stability