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Analytical Bond-order Potential for hcp-Y

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Chinese Journal of Chemical Physics 2013年第5期26卷 526-532,I0003页

作者： Kai-min Fan Li Yang jing Tang Qing-qiang sun Yun-ya Dai Shu-ming Peng Xiao-song Zhou Xiao--tao zu School of Physical Electronics University of Electronic Science and Technology of China ChenEdu610054 China Department of Physics and Engineering Technology Sichuan University of Arts and Science Dazhou635000 China Department of Chemistry and Chemical Engineering Sichuan University of Arts and Science Dazhou635000 China School of Science Huaihai Institute of Technology LianyunEanE 222005 China Institute of Nuclear Physics and Chemistry China Academy of Engineering Physics Mianyang 621900China

The lattice parameters, elastic constants, cohesive energy, structural energy differences, as well as the properties of point defects and planar defects of hexagonal closepacked yttrium （hcpY） have been studied with ab initio density functional theory for constructing an ex tensive database. Based on an analytical bondorder poial scheme, empirical manybody interatomic potential for hcpY has been developed. The model is fitted to some properties of Y, e.g., the lattice parameters, elastic constants, bulk modulus, cohesive energy, vacancy formation energy, and the structural energy differences. The present potential has ability to reproduce defect properties including the selfinterstitial atoms formation energies, vacancy formation energy, divacancy binding energy, as well as the bulk properties and the thermal dynamic properties.

关键词： Hexagonal close-packed yttrium Bond-order potential Density functionaltheory Molecular dynamics

Modeling of unsupervised knowledge graph of events based on mutual information among neighbor domains and sparse representation

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Defence Technology（防务技术） 2022年第12期18卷 2150-2159页

作者： jing-Tao sun jing-Ming Li Qiu-Yu Zhang School of Computer Science and Technology Xi'an University of Posts and TelecommunicationsXi'anShaanxi710121China Shaanxi Key Laboratory of Network Data Analysis and Intelligent Processing Xi'an University of Posts and TelecommunicationsXi'anShaanxi710121China School of Management Science and Engineering Anhui University of Finance and EconomicsBengbuAnhui230030China School of Computer and Communication Lanzhou University of TechnologyLanzhouGansu730050China

Text event mining,as an indispensable method of text mining processing,has attracted the extensive attention of researchers.A modeling method for knowledge graph of events based on mutual information among neighbor domains and sparse representation is proposed in this paper,***,UKGE-MS can improve the existing text mining technology's ability of understanding and discovering high-dimensional unmarked information,and solves the problems of traditional unsupervised feature selection methods,which only focus on selecting features from a global perspective and ignoring the impact of local connection of ***,considering the influence of local information of samples in feature correlation evaluation,a feature clustering algorithm based on average neighborhood mutual information is proposed,and the feature clusters with certain event correlation are obtained;Secondly,an unsupervised feature selection method based on the high-order correlation of multi-dimensional statistical data is designed by combining the dimension reduction advantage of local linear embedding algorithm and the feature selection ability of sparse representation,so as to enhance the generalization ability of the selected feature ***,the events knowledge graph is constructed by means of sparse representation and l1 *** experiments are carried out on five real datasets and synthetic datasets,and the UKGE-MS are compared with five corresponding *** experimental results show that UKGE-MS is better than the traditional method in event clustering and feature selection,and has some advantages over other methods in text event recognition and discovery.

关键词： Text event mining Knowledge graph of events Mutual information among neighbor domains Sparse representation

High Charge Mobility of a Perylene Bisimide Dye with Hydrogen-bond Formation Group

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Chinese Chemical Letters 2005年第9期16卷 1201-1204页

作者： jing Zhi sun Department of Polymer Science ＆ Engineering and State Key Laboratory for Silicon Materials Zhejiang University Hangzhou 310027

A perylene bisimide dye covalently bonded with a hydrogen-bond formation group of 1, 3, 5-triazine-2, 4-diamine has been synthesized. Its casting films show a charge carrier mobility over 10^-3 cm^2/Vs, which is in the range of the highest values found for other promising charge transport materials suitable for solution processable technique.

关键词： Mobility perylene bisimide casting film

Object Counting Using a Refinement Network

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Tsinghua Science and Technology 2022年第5期27卷 869-879页

作者： Lehan sun Junjie Ma Liping jing School of Science Beijing Jiaotong UniversityBeijing 100044China Department of Computer Science and Technology and Beijing National Research Center for Information Science and Technology(BNRist)Tsinghua UniversityBeijing 100084China School of Computer and Information Technology Beijing Jiaotong UniversityBeijing 100044China

To address the scale variance and uneven distribution of objects in scenarios of object-counting tasks,an algorithm called Refinement Network(RefNet) is *** proposed top-down scheme sequentially aggregates multiscale features,which are laterally connected with low-level *** by a multiresolution density regression loss,a set of intermediate-density maps are estimated on each scale in a multiscale feature pyramid,and the detailed information of the density map is gradually added through coarse-to-fine granular refinement progress to predict the final density *** evaluate our RefNet on three crowd-counting benchmark datasets,namely,ShanghaiTech,UCFC0,and UCSD,and our method achieves competitive performances on the mean absolute error and root mean squared error compared to the state-of-the-art *** further extend our RefNet to cell counting,illustrating its effectiveness on relative counting tasks.

关键词： object counting Refinement Network(RefNet) scale variation uneven distribution

Development and Analysis of a New Cylindrical Lithium-Ion Battery Thermal Management System

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Chinese Journal of Mechanical Engineering 2022年第4期35卷 298-312页

作者： Yasong sun Ruihuai Bai jing Ma School of Power and Energy Northwestern Polytechnical UniversityXi’an 710072China Center of Computational Physics and Energy Science Yangtze River Delta Research Institute of NPUNorthwestern Polytechnical UniversityTaicang 215400China School of Automobile Chang’an UniversityXi’an 710064China

With the development of modern technology and economy,environmental protection and sustainable development have become the focus of global *** promotion and development of electric vehicles(EVs)have bright ***,many challenges need to be faced *** diferent operating conditions,various safety problems of electric vehicles emerge one after another,especially the hidden danger of battery overheating which threatens the performance of electric *** paper aims to design and optimize a new indirect liquid cooling system for cylindrical lithium-ion *** design schemes for diferent cooling channel structures and cooling liquid inlet directions are proposed,and the corresponding solid-fuid coupling model is *** Multiphysics simulation software is adopted to simulate and analyze the cooling *** approximate model is constructed using the Kriging method,which is considered to optimize the battery cooling system and improve the optimization *** parameter analysis and the optimization design of system structure are performed through a set of infuencing factors in the battery thermal *** results indicate that the method used in this paper can efectively reduce the maximum core temperature and balance the temperature diferences of the battery *** with the original design,the optimized design,which is based on the non-dominated sorting genetic algorithm(NSGA-II),has an excellent ability in the optimized thermal management system to dissipate thermal energy and keep the overall cooling uniformity of the battery and thermal management ***,the optimized system can also prevent thermal runaway propagation under thermal abuse *** summary,this research can provide some practical suggestions and ideas for the engineering and production applications and structural optimization design carried by electric vehicles.

关键词： Cooling system Electric vehicle Kriging approximation Numerical simulation

Characteristics and triggering mechanisms of early negative Indian Ocean Dipole

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Acta Oceanologica Sinica 2024年第3期43卷 59-65页

作者： Yue Fang Shuangwen sun Yongcan zu Jianhu Wang Lin Feng First Institute of Oceanography and Key Laboratory of Marine Science and Numerical ModelingMinistry of Natural ResourcesQingdao 266061China Laboratory for Regional Oceanography and Numerical Modeling Qingdao Marine Science and Technology CenterQingdao 266237China Shandong Key Laboratory of Marine Science and Numerical Modeling Qingdao 266061China

Negative Indian Ocean Dipole(nIOD)can exert great impacts on global climate and can also strongly influence the climate in *** nIOD is a major type of nIOD,which can induce more pronounced climate anomalies in summer than La Niña-related ***,the characteristics and triggering mechanisms of early nIOD are *** results based on reanalysis datasets indicate that the early nIOD and La Niña-related nIOD are the two major types of nIOD,and the former accounts for over one third of all the nIOD events in the past six *** two types of nIODs are similar in their intensities,but are different in their spatial patterns and seasonal *** early nIOD,which develops in spring and peaks in summer,is one season earlier than the La Niña-related *** spatial pattern of the wind anomaly associated with early nIOD exhibits a winter monsoon-like pattern,with strong westerly anomalies in the equatorial Indian Ocean and eastly anomalies in the northern Indian *** to the triggering mechanism of early positve IOD,the early nIOD is induced by delayed Indian summer monsoon *** results of this study are helpful for improving the prediction skill of IOD and its climate impacts.

关键词： Indian Ocean Dipole(IOD) triggering mechanism Indian summer monsoon seasonal cycle negative IOD

Decadal variation of thermocline-sea surface temperature feedback in the tropical Indian Ocean and the underlying mechanisms

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Acta Oceanologica Sinica 2021年第11期40卷 31-38页

作者： Meiqi Zhang Shuangwen sun Lin Liu Yongcan zu Lin Feng First Institute of Oceanography and Key Laboratory of Marine Science and Numerical ModelingMinistry of Natural ResourcesQingdao 266061China Laboratory for Regional Oceanography and Numerical Modeling Pilot National Laboratory for Marine Science and Technology(Qingdao)Qingdao 266237China Shandong Key Laboratory of Marine Science and Numerical Modeling Qingdao 266061China

The thermocline-sea surface temperature(SST)feedback is the most important component of the Bjerknes feedback,which plays an important role in the development of the air-sea coupling modes of the Indian *** thermocline-SST feedback in the Indian Ocean has experienced significant decadal variations over the last40 *** feedback intensified in the late twentieth century and then weakened during the hiatus in global warming at the early twenty-first *** thermocline-SST feedback is most prominent in the southeastern and southwestern Indian *** the decadal variations of feedback are similar in these two regions,there are still differences in the underlying *** decadal variations of feedback in the southeastern Indian Ocean are dominated by variations in the depth of the thermocline,which are modulated by equatorial zonal wind *** the decadal variation of feedback in the southwestern Indian Ocean is mainly controlled by the intensity of upwelling and thermocline depth in winter and spring,*** upwelling and thermocline depth are both affected by wind stress curl anomalies over the southeastern Indian Ocean,which excite anomalous Ekman pumping and influence the southwestern Indian Ocean through westward propagating Rossby waves.

关键词： Indian Ocean thermocline-SST feedback decadal variation upwelling thermocline depth

Hypervalent iodine mediated C-H amination of quinoxalinones with heteroaromatic amines under metal-free conditions

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Chinese Chemical Letters 2021年第8期32卷 2559-2561页

作者： Qing-Qing Han De-Mao Chen zu-Li Wang Yuan-Yuan sun Shao-Hui Yang jing-Cheng Song Dao-Qing Dong College of Chemistry and Pharmaceutical Sciences Qingdao Agricultural UniversityQingdao 266109China

An efficient and facile method for C-H amination of quinoxalinones with heteroaromatic amines under metal-free conditions has been *** the presence of hypervalent PIDA reagent,the desired products with various groups ... 详细信息

关键词： Hypervalent iodine Amination Quinoxalinones Metal-free Heteroaromatic amines

Highly selective adsorption of light hydrocarbons in a HKUST-like MOF constructed from spirobifluorene-based octacarboxylate ligand by a substitution strategy

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Nano Research 2023年第7期16卷 10652-10659页

作者： Xinli Shi Yucong zu Xilin Li Tongyi Zhao Hao Ren Fuxing sun State Key Laboratory of Inorganic Synthesis and Preparative Chemistry Jilin UniversityChangchun 130012China

Metal-organic frameworks(MOFs)with HKUST-like tbo structures have been paid specific attention for gas sorption and separation because of their specific pore *** to the geometric similarity of spirobifluorene and[Cu_(2)(O_(2)CR)_(4)]paddlewheel secondary building units(Cu_(2)SBUs)in HKUST-1,we attempted to rationally construct a HKUST-like MOF by a substitution *** a judiciously designed octatopic carboxylate ligand,a copper-organic framework,JUC-220,was *** crystals of JUC-220 exhibited characteristic features in cubic with disorder,possibly due to the disorder substitution and high symmetry of tbo *** related HKUST-like structure models were *** to the suitable pore size and specific pore shapes,the adsorption selectivities of JUC-220 for C_(3)H_(8)/CH_(4)(5/85)and C_(2)H_(6)/CH_(4)(10/85)gas mixtures were as high as 736 and 46 respectively at 298 K and 1 ***,JUC-220 exhibited excellent trace adsorption performance of C_(3)H_(8)and C_(2)H_(6)as well as reverse adsorption behavior of C_(2)H_(6)/C_(2)H_(4).Thus,JUC-220 serves as an example of HKUST-like MOF with disorder for light hydrocarbons separation and the implementation of substitution which can be used to explore more porous MOFs.

关键词： HKUST-like metal-organic frameworks(MOFs) reticular chemistry disorder substitution trace adsorption light hydrocarbons separation