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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

Multi-physical fields distribution in billet during helical electromagnetic stirring:A numerical simulation research

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China Foundry 2024年第1期21卷 51-59页

作者： Dong Pan Qing-tao Guo Kai-lun Zhang Fu-zhi yu yu-ying Li yu-bao xiao State Key Laboratory of Metal Materials for Marine Equipment and Application Anshan 114009LiaoningChina Ansteel Beijing Research Institute Co. Ltd.Beijing 102200China

Electromagnetic stirring is one of the widely applied techniques to modify the quality of casting *** from conventional rotate stirring,the helical stirring is more professional in assisting multi-dimensional flow of molten metal and eliminating solidification *** this study,the single-winding helical stirring(SWHS)was introduced,offering advantages such as smaller volume and lower electromagnetic shielding compared to traditional helical stirring *** a comprehensive numerical simulation,the stirring parameters of SWHS were adjusted to yoke inclination angle of 43°and frequency of 12 *** higher electromagnetic force and flow velocity in drawing direction,as well as the lower temperature gradient induced by the SWHS,are positive factors for homogeneous solidification of *** experimental results on Al-8%Si alloy and 0.4%C-1.1%Mn steel demonstrate that compared to rotate stirring,the SWHS process can induce better billet quality and is more effective in accelerating the equiaxed expansion and reducing element *** SWHS process can enhance the equiaxed ratio of the billet by 58.3%and reduce segregation degree of carbon element by 10.97%.Consequently,SWHS holds great promise as a potential approach for improving the quality of continuous casting billets.

关键词： billet electromagnetic stirring helical solidification element segregation numerical simulation

A Possible X-ray Quasi-periodic Oscillation in the Narrow-line Seyfert 1 Galaxy Mrk 142

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Research in Astronomy and Astrophysics 2024年第6期24卷 191-200页

作者： xiao-Gu Zhong Jian-Cheng Wang Yong-yun Chen xiao-Ling yu College of Physics and Electronic Engineering Qujing Normal UniversityQujing 655011China yunnan Observatories Chinese Academy of SciencesKunming 650216China

A possible quasi-periodic oscillation(QPO) at frequency 7.045 × 10^(-5) Hz is found in the narrow-line Seyfert 1galaxy Mrk 142 in the data of XMM-Newton collected on 2020 April *** find that the QPO signal is statistically significantly larger than the 5σ level and highly coherent with quality factor Q > 5 at the 0.3–10 keV band by using the method of the Lomb–Scargle Periodogram,the Weighted Wavelet Z-transform and the *** analyze the data in 0.3–0.6 keV,0.6–1 keV,1–3 keV and 3–10 keV energy bands,and find obvious QPO signals at 0.3–0.6 keV and 1–3 keV *** then analyze the time-average spectra and time variability at the QPO frequency of 7.045 × 10^(-5) Hz,and use a model to fit *** find that the QPO signal mainly comes from the X-ray hot corona.

关键词： X-rays:galaxies galaxies:Seyfert accretion accretion disks radiation mechanisms:general

Synthesis, Characterization and Antitumor Activities of Co, Ni, Cu, Zn Complexes with 1,4,7,10-tetrakis(4-nitrobenzyl)-1,4,7,10 tetraazacyclododecane Macrocyclic Ligand

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Chinese Journal of Structural Chemistry 2000年第1期19卷 39-47页

作者： KONG De\|yuan a* \ XIE yu\|Li a\ XIE yu\|yuan a\ huang xiao\|Ying ba (Shanghai Institute of Materia Medica, the Chinese Academy of Sciences, Taiyuan Road 294, Shanghai, 200031, P. R. China) b (Department of Chemistry, Rugters University, New Jer 中科院上海药物所上海 2 0 0 0 31 Rugters University 美国 New Jersey 08102

New tetraazamacrocyclic ligand with 1,4,7,10 tetrakis(4 nitrobenzyl) pendent groups (C 36 H 40 N 8O 8, M r =712.76) crystallized in the monoclinic system, P2 1/n space group with unit cell parameters: a=7.834(2), b=22.902(6), c=10\^147(3), β=106.53(2)°, V=1745(1) 3, Z=2, D c =1.356 g/cm 3, λ (Mo Kα )=0.71069; μ =0.92cm -1 , F(000)=752, T =296K. The final R and R w values are 0\^065 and 0.066, respectively. The Cu(Ⅱ), Ni(Ⅱ), Co(Ⅱ), Zn(Ⅱ) complexes with this new ligand have been synthesized and characterized by elemental analyses, IR, UV, ESI MS and molar conductance. The macrocyclic ligand molecular structure is centrosymmetrical. All complexes are in accordance with the general formula: M(L)(NO 3) 2·nH 2O (M=Co, Ni, Cu, n=2; M=Zn, n=4; L=C 36 H 40 \|N 8O 8). The central metal ions coordinate to four nitrogen atoms of azamacrocycle and two oxygen atoms of one nitrate ion. Preliminary pharmacological tests against P 388 and A 549 tumor cell lines showed that all these complexes had considerable activities in vitro.

关键词： synthesis macrocyclic ligand antitumor activity crystal structure

Feature Matching via Topology-Aware Graph Interaction Model

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IEEE/CAA Journal of Automatica Sinica 2024年第1期11卷 113-130页

作者： Yifan Lu Jiayi Ma xiaoguang Mei Jun huang xiao-Ping Zhang the Electronic Information School Wuhan UniversityWuhan 430072China IEEE Tsinghua Berkeley Shenzhen Institute Shenzhen 518071China the Department of Electrical Computer and Biomedical EngineeringToronto Metropolitan UniversityToronto ON M5B 2K3Canada

Feature matching plays a key role in computer vision. However, due to the limitations of the descriptors, the putative matches are inevitably contaminated by massive *** paper attempts to tackle the outlier filtering problem from two aspects. First, a robust and efficient graph interaction model,is proposed, with the assumption that matches are correlated with each other rather than independently distributed. To this end, we construct a graph based on the local relationships of matches and formulate the outlier filtering task as a binary labeling energy minimization problem, where the pairwise term encodes the interaction between matches. We further show that this formulation can be solved globally by graph cut algorithm. Our new formulation always improves the performance of previous localitybased method without noticeable deterioration in processing time,adding a few milliseconds. Second, to construct a better graph structure, a robust and geometrically meaningful topology-aware relationship is developed to capture the topology relationship between matches. The two components in sum lead to topology interaction matching(TIM), an effective and efficient method for outlier filtering. Extensive experiments on several large and diverse datasets for multiple vision tasks including general feature matching, as well as relative pose estimation, homography and fundamental matrix estimation, loop-closure detection, and multi-modal image matching, demonstrate that our TIM is more competitive than current state-of-the-art methods, in terms of generality, efficiency, and effectiveness. The source code is publicly available at http://***/YifanLu2000/TIM.

关键词： Feature matching graph cut outlier filtering topology preserving

Automated Identification of Ordered Phases for Simulation Studies of Block Copolymers

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Chinese Journal of Polymer Science 2024年第5期42卷 683-692,I0011页

作者： yu-Chen Zhang Wei-Ling huang Yi-Xin Liu State Key Laboratory of Molecule Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai200433China

In unit cell simulations,identification of ordered phases in block copolymers(BCPs)is a tedious and time-consuming task,impeding the advancement of more streamlined and potentially automated research *** this study,we propose a scattering-based automated identification strategy(SAIS)for characterization and identification of ordered phases of BCPs based on their computed scattering *** approach leverages the scattering theory of perfect crystals to efficiently compute the scattering patterns of periodic morphologies in a unit *** the first stage of the SAIS,phases are identified by comparing reflection conditions at a sequence of Miller *** confirm or refine the identification results of the first stage,the second stage of the SAIS introduces a tailored residual between the test phase and each of the known candidate ***,our strategy incorporates a variance-like criterion to distinguish background species,enabling its extension to multi-species BCP *** has been demonstrated that our strategy achieves exceptional accuracy and robustness while requiring minimal computational ***,the approach allows for real-time expansion and improvement to the candidate phase library,facilitating the development of automated research workflows for designing specific ordered structures and discovering new ordered phases in BCPs.

关键词： Block copolymer Phase identification Scattering function

Effect of Mn addition on microstructure and mechanical properties of GX40CrNiSi25-12 austenitic heat resistant steel

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China Foundry 2024年第3期21卷 205-212页

作者： Guan-yu Jiang Meng-wu Wu xiao-guang Yang Hui Wang yu-yuan Zhu Hubei Key Laboratory of Advanced Technology for Automotive Components Wuhan University of TechnologyWuhan 430070China Hubei Longzhong Laboratory Xiangyang 441000HubeiChina Wescast Industries(China)Co. Ltd.Wuhan 430100China

Three types of steels were designed on the basis of GX40CrNiSi25-12 austenitic heat resistant steel by adding different Mn contents(2wt.%,6wt.%,and 12wt.%).Thermodynamic calculation,microstructure characterization and mechanical property tests were conducted to investigate the effect of Mn addition on the microstructure and mechanical properties of the austenitic heat resistant *** show that the matrix structure in all the three types of steels at room temperature is completely *** NbC and M_(23)C_(6)precipitate at grain boundaries of austenite *** the increase of Mn content,the number of carbides increases and their distribution becomes more *** the Mn content increases from 1.99%to 12.06%,the ultimate tensile strength,yield strength and elongation increase by 14.6%,8.0%and 46.3%,*** improvement of the mechanical properties of austenitic steels can be explained by utilizing classic theories of alloy strengthening,including solid solution strengthening,precipitation strengthening,and grain *** increase in alloy strength can be attributed to solid solution strengthening and precipitation strengthening caused by the addition of *** improvement of the plasticity of austenitic steels can be explained from two aspects:grain refinement and homogenization of precipitated phases.

关键词： austenitic heat resistant steel manganese microstructure mechanical properties

Optimal Cooperative Secondary Control for Islanded DC Microgrids via a Fully Actuated Approach

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IEEE/CAA Journal of Automatica Sinica 2024年第2期11卷 405-417页

作者： Yi yu Guo-Ping Liu Yi huang Peng Shi IEEE Shenzhen Key Laboratory of Control Theory and Intelligent Systems Southern University of Science and TechnologyShenzhen 518055China School of Electrical Engineering and Automation Wuhan UniversityWuhan 430072China School of Electrical and Mechanical Engineering the University of AdelaideSA 5005Australia Research and Innovation Centre Obuda University1034 BudapestHungary

DC-DC converter-based multi-bus DC microgrids(MGs) in series have received much attention, where the conflict between voltage recovery and current balancing has been a hot topic. The lack of models that accurately portray the electrical characteristics of actual MGs while is controller design-friendly has kept the issue active. To this end, this paper establishes a large-signal model containing the comprehensive dynamical behavior of the DC MGs based on the theory of high-order fully actuated systems, and proposes distributed optimal control based on this. The proposed secondary control method can achieve the two goals of voltage recovery and current sharing for multi-bus DC MGs. Additionally, the simple structure of the proposed approach is similar to one based on droop control, which allows this control technique to be easily implemented in a variety of modern microgrids with different configurations. In contrast to existing studies, the process of controller design in this paper is closely tied to the actual dynamics of the MGs. It is a prominent feature that enables engineers to customize the performance metrics of the system. In addition, the analysis of the stability of the closed-loop DC microgrid system, as well as the optimality and consensus of current sharing are given. Finally, a scaled-down solar and battery-based microgrid prototype with maximum power point tracking controller is developed in the laboratory to experimentally test the efficacy of the proposed control method.

关键词： DC microgrids distributed control high-order fully actuated system approach linear quadratic regulator microgrid modeling secondary control

Hydrogen trapping and diffusion in polycrystalline nickel:The spectrum of grain boundary segregation

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Journal of Materials Science & Technology 2024年第6期173卷 225-236页

作者： yu Ding Haiyang yu Meichao Lin Michael Ortiz Senbo xiao Jianying He Zhiliang Zhang Department of Structural Engineering Norwegian University of Science and Technology(NTNU)Trondheim 7491Norway Division of Applied Mechanics Department of Materials Science and EngineeringUppsala UniversityUppsala 75121Sweden Graduate Aerospace Laboratories California Institute of Technology1200 E.California Blvd.PasadenaCA 91125USA

Hydrogen as an interstitial solute at grain boundaries(GBs)can have a catastrophic impact on the mechanical properties of many *** the global research effort,the underlying hydrogen-GB interactions in polycrystals remain inadequately *** this study,using Voronoi tessellations and atomistic simulations,we elucidate the hydrogen segregation energy spectrum at the GBs of polycrystalline nickel by exploring all the topologically favorable segregation *** distinct peaks in the energy spectrum are identified,corresponding to different structural *** first peak(-0.205 eV)represents the most favorable segregation sites at GB core,while the second and third peaks account for the sites at GB *** incorporating a thermodynamic model,the spectrum enables the determination of the equilibrium hydrogen concentrations at GBs,unveiling a remarkable two to three orders of magnitude increase compared to the bulk hydrogen concentration reported in experimental *** identified structures from the GB spectrum exhibit vastly different behaviors in hydrogen segregation and diffusion,with the low-barrier channels inside GB core contributing to short-circuit diffusion,while the high energy gaps between GB and neighboring lattice serving as on-plane diffusion *** square displacement analysis further confirms the findings,and shows that the calculated GB diffusion coefficient is three orders of magnitude greater than that of *** present study has a significant implication for practical applications since it offers a tool to bridge the gap between atomic-scale interactions and macroscopic behaviors in engineering materials.

关键词： Hydrogen embrittlement Grain boundaries Impurity segregation Polycrystal Atomistic simulations