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Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO3- integrated CO2 reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst

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Journal of Energy Chemistry 2025年第1期100卷 273-285页

作者： Tianhang Zhou chen shen Zhenghao Wu Xingying Lan Yi Xiao College of Carbon Neutrality Future Technology State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) Institute of Materials Science TU Darmstadt Department of Chemistry Xi'an Jiaotong-Liverpool University Department of Mechanical and Mechatronics Engineering and Waterloo Institute of Nanotechnology University of Waterloo Waterloo

Dual atomic catalysts （DAC）,particularly copper （Cu2）-based nitrogen （N） doped graphene,show great potential to effectively convert CO2and nitrate （NO3-） into important industrial chemicals such as ethylene,glycol,acetamide,and urea through an efficient catalytical process that involves C–C and C–N ***,the origin of the coupling activity remained unclear,which substantially hinders the rational design of Cu-based catalysts for the N-integrated CO2reduction reaction （CO2RR）.To address this challenge,this work performed advanced density functional theory calculations incorporating explicit solvation based on a Cu2-based N-doped carbon (Cu2N6C10) catalyst for *** calculations are aimed to gain insight into the reaction mechanisms for the synthesis of ethylene,acetamide,and urea via coupling in the interfacial reaction *** to the sluggishness of CO2,the formation of a solvation electric layer by anions （F-,Cl-,Br-,and I-） and cations (Na+,Mg2+,K+,and Ca2+) leads to electron transfer towards the Cu *** process significantly accelerates the reduction of *** results reveal that*CO intermediates play a pivotal role in N-integrated ***,the Cu2-based N-doped carbon catalyst examined in this study has demonstrated the most potential for C–N coupling to *** findings reveal that through the process of a condensation reaction between*CO and NH2OH for urea synthesis,*NO3-is reduced to*NH3,and*CO2to*CCO at dual Cu atom *** dual-site reduction facilitates the synthesis of acetamide through a nucleophilic reaction between NH3and the ketene ***,we found that the I-and Mg2+ions,influenced by pH,were highly effective for acetamide and ammonia synthesis,except when F-and Ca2+were ***,the mechanisms of C–N bond formation were investigated via ab-initio molecular dynamics simulations,and we found that adjusting the micro-environment can change the dominant side reaction,shift

关键词： Condensation reactions

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论中国叶肢介科(Sinoestheriidae chen and shen,1982)的分类

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古生物学报 2014年第4期53卷 443-451页

作者：陈丕基沈炎彬现代古生物学和地层学国家重点实验室中国科学院南京地质古生物研究所南京210008

中国叶肢介科的成员以个体大,生长线粗凸,其上有一排圆瘤,最后几条生长线在后背缘微微反弯曲,生长带宽而平,发育有大网状或线脊状装饰为特征。其个体之大,是叶肢介动物群中的佼佼者。该科原包括4属:Sinoestheria Chang,1957,Ganestheria... 详细信息

中国叶肢介科的成员以个体大,生长线粗凸,其上有一排圆瘤,最后几条生长线在后背缘微微反弯曲,生长带宽而平,发育有大网状或线脊状装饰为特征。其个体之大,是叶肢介动物群中的佼佼者。该科原包括4属:Sinoestheria Chang,1957,Ganestheria Bi and Xie,1982,Stanleyviella chen and shen,1982及Sentestheria Wang,1981。通过对分类依据及构造特征的厘定,认为Sentestheria应划归于Nestoriidae。新建立2个属:Wanestheria(安徽叶肢介)及Brazilestheria(巴西叶肢介)。该科的地质历程较短,分布于晚侏罗世(Kimmeridgian)至晚白垩世(Coniacian-Santonian)。目前只见于中国、非洲及巴西。本文讨论该科与其它古似渔乡叶肢介类的关系。根据保存十分完好的Ganestheria的标本,对该属具有加厚的脊状背缘及背缘刺的特征做重要补充。

关键词：中国叶肢介科分类演化地理分布

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Exit options sustain altruistic punishment and decrease the second-order free-riders, but it is not a panacea

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Science China(Information Sciences) 2025年第1期68卷 278-291页

作者： chen shen Zhao SONG Lei SHI Jun TANIMOTO Zhen WANG Faculty of Engineering Sciences Kyushu University School of Statistics and Mathematics Yunnan University of Finance and Economics School of Computing Engineering and Digital Technologies Teesside University School of Artificial Intelligence OPtics and Electro Nics (iOPEN) Northwestern Polytechnical University

Why do humans punish free riders at their own expense? This behavior represents an evolutionary puzzle in human societies. This study explores the role of exit strategies in fostering altruistic punishment within evolutionary game theory. We extend the traditional prisoner's dilemma model by incorporating exiters, players who opt out for a small payoff while nullifying their opponent's payoff, and altruistic punishers who cooperate and punish non-cooperators. Our findings indicate that in well-mixed populations, exiters destabilize defection but do not promote altruistic punishment. In social networks, however,exiters enable altruistic punishment via cyclic dominance among altruistic punishers, defectors, and exiters. Notably, this cyclic dominance is sensitive to exit payoffs; adjustments can lead to cyclic dominance of non-punishing cooperators, defectors, and exiters, or to a bi-stable state between these two types of cyclic dominance. These results highlight the nuanced impact of exiters on altruistic punishment, emphasizing the need for careful incentivization of exit behavior. While exiters can support altruistic punishment in networked populations, their effectiveness is not a panacea and is highly sensitive to exit payoffs, indicating limits to the voluntary participation mechanism.

关键词： evolutionary game theory altruistic punishment coexistence cyclic dominance bi-stable

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Merging bound states in the continuum in an open acoustic resonator

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 124-131页

作者： Lujun Huang Bin Jia Artem S.Pilipchuk Sibo Huang chen shen Almas F.Sadreev Yong Li Andrey E.Miroshnichenko School of Physics and Electronic Sciences East China Normal University Institute of Acoustics Tongji University L.V.Kirensky Institute of Physics Department of Mechanical Engineering Rowan University School of Engineering and Technology University of New South Wales at Canberra

Bound states in the continuum （BICs） are perfectly localized resonances despite embedding in the continuum ***,an isolated BIC is very sensitive to the structure ***,we report merging acoustic BICs in a single open resonator,robust against the structure *** find that both symmetry-protected BIC and Friedrich-Wintgen BIC are sustained in a single coupled waveguide-resonator *** varying the height and length of the resonator,these two BICs move toward each other and merge into a single one at a critical *** to an individual BIC,the merged BIC is robust against fabrication error because its Q-factor is proportional to ΔL-4,whereΔL embodies the structure *** essence of this extraordinary phenomenon is perfectly explained by the two-and three-level approximations of the effective nonHermitian ***,we present direct experimental demonstrations of the moving and merging of BICs in a coupled 3D waveguide-resonator,which are evidenced by the vanishing of the linewidth of Fano resonance in the transmission *** results may find exciting applications in designing high-quality acoustic sources,sensors and filters.

关键词： acoustic resonances bound state in the continuum high-Q resonances

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Modeling solubility of oxaprozin and irbesartan in biorelevant complex solutions based on a combination of pH-dependent and micellar solubilization models

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Chinese Journal of Chemical Engineering 2024年第8期72卷 34-43页

作者： chen shen Yuanhui Ji Jiangsu Province Hi-Tech Key Laboratory for Biomedical Research School of Chemistry and Chemical EngineeringSoutheast UniversityNanjing 211189China

Biological solubility is one of the important basic parameters in the development process of poorly soluble drugs,but the current measurement methods are mainly based on a large number of experiments,which are time-consuming and *** is still a lack of effective theoretical models to accurately describe and predict the biological solubility of drugs to reduce ***,in this study,osaprazole and irbesartan were selected as model drugs,and their solubility in solutions containing surfactants and biorelevant media was measured *** calculating the parameters of each component using the perturbed-chain statistical associating fluid theory(PC-SAFT)model,combined with pH-dependent and micellar solubilization models,the thermodynamic phase behavior of the two drugs was successfully modeled,and the predicted results were in good agreement with the experimental *** results demonstrate that the model combination used provides important basic parameters and theoretical guidance for the development and screening of poorly soluble drugs and related formulations.

关键词： Biorelevant media pH-dependent solubility Micellar solubilization PC-SAFT Active pharmaceutical ingredients

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A distributed inverse iteration method for eigenvalue analysis of interconnected power systems

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Science China(Technological Sciences) 2007年第6期50卷 774-785页

作者： shen chen chen Ying ZHANG Xu State Key Laboratory of Power Systems Department of Electrical Engineering Tsinghua University Beijing 100084 China State Key Laboratory of Power Systems Department of Electrical Engineering Tsinghua University Beijing 100084 China State Key Laboratory of Power Systems Department of Electrical Engineering Tsinghua University Beijing 100084 China

Since China power grids have a hierarchical architecture in operation and man- agement, centralized computation patterns are difficult to meet the demands of small-signal-stability analysis of the bulk interconnected power systems. A dis- tributed eigenvalue algorithm derived from the inverse iteration method is pro- posed. It can not only obtain eigenvalues and eigenvectors from power system state matrix but also provide participation factors of all generators. In the comput- ing process, the algorithm only requires exchanging data of boundary nodes and a small amount of other information of different regions. Therefore, it is very suitable to be deployed in a WAN (wide area network) based distributed environment. The algorithm has been tested on an IEEE39 system.

关键词： distributed computing, eigenvalue, small signal stability, inverse iteration method

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Decomposed input-output stability analysis and enhancement of integrated power systems

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Science China(Technological Sciences) 2018年第3期61卷 427-437页

作者： LI Fan chen Ying QIN BoYu shen chen Department of Electrical Engineering Tsinghua University State Key Laboratory of Electrical Insulation and Power Equipment School of Electrical Engineering Xi'an Jiaotong University

The integrated power system(IPS) is a foundation of all-electrical ships and vessels. The stability of IPS becomes a prerequisite of complicated cruise tasks. Thus, advanced stability analysis and regulation methods for IPS are of great importance. In this paper, a novel method is proposed for analyzing and enhancing transient stability of IPS, which is regarded as a cyber-physical system comprising of subsystems and connections. Criterions for determining input-output stability of such a system are firstly derived. Then, the stability analysis of IPS can be performed in the following two steps: 1) evaluating local input-output stability features of each subsystem independently through simulations. 2) Checking stability criterions with system topology and subsystem stability features. Moreover, synthetic approaches are proposed for stabilization and stability enhancement of IPS. To avoid system in-stability after major failures or topology changes, the optimal emergency control is performed to reconfigure subsystems. The other optimal regulation is used to strengthen system stability by adjusting subsystems' control parameters during normal operation conditions. Case studies on a typical IPS validate the proposed stability analysis and enhancement approach.

关键词： input-output stability stability criteria stability enhancement integrated power systems

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A micromechanics-based finite element model for the constitutive behavior of polycrystalline ferromagnets

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Acta Mechanica Sinica 2006年第3期22卷 257-264页

作者： Binglei Wang Changqing chen Yapeng shen The Laboratory for Strength and Vibration School of Aerospace Xi'an Jiaotong University Xi'an 710049 China

A micromechanics-based finite element model for the constitutive behavior of polycrystalline ferromagnets is developed. In the model, the polycrystalline solid is assumed to comprise numerous single crystals with randomly distributed crystallographic orientations, and the single crystals, in turn, consist of ferromagnetic domains, each of which is represented by a cubic element. The dipole directions of the domains are randomly assigned to simulate the crystallographic nature of ferromagnetic polycrystals. A switching criterion for the domains is specified at the microscopic level. The macroscopic constitutive behavior is obtained by averaging the microscopic/local behavior of each domain. The developed model has been applied to the simulation of a ferromagnetic material. With appropriate material parameters adopted, hysteresis loops of the predicted magnetic induction versus magnetic field and those of the strain versus magnetic field are shown to agree well with experimental observations.

关键词： Ferromagnetic polycrystal. Micromechanics Finite element Domain switching

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Evaluation of commutation failure risk in single-or multi-infeed LCC-HVDC systems based on equivalent-fault method

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Science China(Technological Sciences) 2018年第8期61卷 1207-1216页

作者： ZHENG Kuan shen chen LIU Feng State Key Laboratory of Power Systems Department of Electrical Engineering Tsinghua University

In single-or multi-infeed line-commutated converter-based high-voltage direct current(LCC-HVDC) systems, commutation failure(CF) induced by alternating current(AC) faults may lead to serious consequences. Considering the randomness of fault occurrences, an accurate evaluation of the CF risk(CFR) from the system point of view becomes necessary in power system planning and operation. This paper first provides a definition of the CF severity(CFS) index corresponding to an AC fault. Then,on the basis of electromagnetic transient(EMT) simulation, an approach to calculate the CFS index considering the randomness of fault-occurrence time is presented. A novel equivalent-fault method is further put forward to make the EMT simulation scalable to calculate the CFS index in terms of a fault occurring in a large-scale receiving-end grid. Thereafter, the CFR index is introduced, which is defined as the sum of the products of the CFS index of each AC fault and the corresponding fault ***, the proposed method is verified on the modified IEEE 9-bus and modified IEEE 39-bus systems using PSCAD/EMTDC.

关键词： commutation failure severity equivalent-fault method commutation failure risk fault randomness electromagnetictransient simulations

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NUMERICAL SIMULATION OF 3-D TURBULENT FLOW IN THE MULTI-INTAKES SUMP OF THE PUMP STATION

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Journal of Hydrodynamics 2007年第1期19卷 42-47页

作者： chen Hong-xun shen Xin-rong Shanghai Institute of Applied Mathematics and Mechanics Shanghai University Shanghai 200072 China

In this article, a numerical model forthree-dimensional turbulent flow in the sump of the pumpstation was presented. A reasonable boundary condition for the flow in the sump with several water intakes at different flowrates was proposed. The finite volume method was employed tosolve the governing equations with the body fitted gridgenerated by the multi-block grid technique. By using theFluent software, the fluid flow in a model sump of the pumpstation was calculated. Compared with the experimental result,the numerical result of the example is fairly good.

关键词： pumping station sump suction pipe turbulentmodel numerical simulation

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