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Molecular dynamics study of hydrogen-induced cracking behavior of ferrite–pearlite gas transmission pipeline steel

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Journal of Iron and Steel Research(International) 2024年第2期31卷 488-500页

作者： tao-long xu Si-han Guo Gong-zhen He Hao-yu Han Petroleum Engineering School Southwest Petroleum UniversityChengdu610500SichuanChina Sichuan East Gas Transmission Sales Center of Sinopec Natural Gas Branch Wuhan430074HubeiChina

Hydrogen embrittlement of pipelines depends on the hydrogen-induced cracking behavior of the pipeline steel *** on molecular dynamics analysis,the ferrite–cementite(α-Fe/Fe3C)lamellar atomic structure with the Bagaryatskii orientation relationship was established,and stepwise relaxation of the conjugate gradient energy minimization and constant-temperature and constant-pressure relaxation were performed under NPT(the isothermal–isobaric)*** mechanical property curves of theα-Fe/Fe3C models were obtained under different cementite terminal plane structures,and the evolution of the atomic structure was analyzed in *** addition,the influence of different hydrogen concentrations,different temperatures,different strain rates,changes in voids,and different micro-degrees of freedom on the deformation and failure mechanism of the model was investigated,aiming to provide a reliable way to explore the micro-mechanism of macro-cracking behavior of pipeline steel.

关键词： Ferrite-cementite lamellar structure Pipeline steel Failure mechanism Crack propagation Molecular dynamics

Adaptive detection of range-spread targets in homogeneous and partially homogeneous clutter plus subspace interference

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Journal of Systems Engineering and Electronics 2024年第1期35卷 43-54页

作者： JIAN tao HE Jia WANG Bencai LIU yu xu Congan XIE Zikeng Research Institute of Information Fusion Naval Aviation UniversityYantai 264001China Air Force Early Warning Academy Wuhan 430019China

Adaptive detection of range-spread targets is considered in the presence of subspace interference plus Gaussian clutter with unknown covariance *** target signal and interference are supposed to lie in two linearly independent subspaces with deterministic but unknown *** on the two-step criteria,two adaptive detectors based on Gradient tests are proposed,in homogeneous and partially homogeneous clutter plus subspace interference,*** of the proposed detectors exhibit theoretically constant false alarm rate property against unknown clutter covariance matrix as well as the power *** results show that,the proposed detectors have better performance than their existing counterparts,especially for mismatches in the signal steering vectors.

关键词： adaptive detection subspace interference constant false alarm rate Gradient test partially homogeneous environment

Yolk-shell FeSe_(2)@CoSe_(2)/FeSe_(2) heterojunction as anode materials for sodium-ion batteries with high rate capability and stability

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Journal of Materials Science & Technology 2024年第5期172卷 185-195页

作者： Liuyang Zhang Bicheng Zhu Difa xu Zibao Qian Ping Xie tao Liu Jiaguo yu Laboratory of Solar Fuel Faculty of Materials Science and ChemistryChina University of GeosciencesWuhan 430078China Hunan Key Laboratory of Applied Environmental Photocatalysis Changsha UniversityChangsha 410022China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Sodium-ion batteries are promising candidates for large-scale grid storage systems and other *** foremost advantage derives from superior environmental credentials,enhanced safety as well as lower raw material costs than lithium-ion *** is still challenging to explore desirable anode *** this study,FeSe_(2)@CoSe_(2)/FeSe_(2),with a yolk-shell structure was prepared by ion exchange and *** FeSe_(2)@CoSe_(2)/FeSe_(2)prepared as anode material for sodiumion batteries exhibits excellent rate capability due to the synergistic effect of bimetallic selenides and the interfacial effect of the ***,it delivers high performance(510 mAh g^(-1)at 0.2 A g^(-1)),superior rate capa-bility(90%retention at 5 A g^(-1)),and good long-time cycling stability(78%capacity retention after 1800 cycles at a high current density of 2 A g^(-1)).The optimized sodiumion full cell with FeSe_(2)@CoSe_(2)/FeSe_(2)as the anode and Na 3 V 2(PO 4)3 as the cathode still demonstrates excellent ***,a ca-pacity of 272 mAh g^(-1)(at 1 A g^(-1))within the operating voltage from 1 to 3.8 V can be *** work illustrates the potential of bimetallic selenides with heterostructures for performance enhancement of sodium-ion batteries.

关键词： Cobalt-iron selenide Heterojunctions Sodium storage Anode material Full battery

Micropillar compression using discrete dislocation dynamics and machine learning

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Theoretical & Applied Mechanics Letters 2024年第1期14卷 39-47页

作者： Jin tao Dean Wei Junshi yu Qianhua Kan Guozheng Kang xu Zhang School of Mechanics and Aerospace Engineering Southwest Jiaotong UniversityChengdu 610031China State Key Laboratory of Nonlinear Mechanics Institute of MechanicsChinese Academy of SciencesBeijing 100190China

Discrete dislocation dynamics(DDD)simulations reveal the evolution of dislocation structures and the interaction of *** study investigated the compression behavior of single-crystal copper micropillars using fewshot machine learning with data provided by DDD *** types of features are considered:external features comprising specimen size and loading orientation and internal features involving dislocation source length,Schmid factor,the orientation of the most easily activated dislocations and their distance from the free *** yielding stress and stress-strain curves of single-crystal copper micropillar are predicted well by incorporating both external and internal features of the sample as separate or combined *** is found that the machine learning accuracy predictions for single-crystal micropillar compression can be improved by incorporating easily activated dislocation features with external ***,the effect of easily activated dislocation on yielding is less important compared to the effects of specimen size and Schmid factor which includes information of orientation but becomes more evident in small-sized ***,incorporating internal features,especially the information of most easily activated dislocations,improves predictive capabilities across diverse sample sizes and orientations.

关键词： Discrete dislocation dynamics simulations Machine learning Size effects Orientation effects Microstructural features

Glass-Ceramics with High Strength and High Transmittance Obtained by Multi-Factor Controlling

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Journal of Wuhan University of Technology(Materials Science) 2024年第3期39卷 551-560页

作者：胡云坤 RAO yu WANG Mingzhong xu Yinsheng XIA Mengling tao Haizheng 陆平 School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China Xianning CSG Photovoltaic Glass Co. Ltd.Xianning 437100China State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070China Jincheng Optical-mechanical Industry Research Institute Jincheng 048000China

The presence of Li_(2)Si_(2)O_(5) and LiAlSi_(4)O_(10) could effectively improve the elastic modulus and transmittance of lithium disilicate(LD)*** synergistically modulation of the crystal content and grain size,we obtained high strength and high transmittance of LD *** optimal sample had a high transmittance of 90.3%,the hardness was 7.72 GPa,the fracture toughness was 1.07 MPa·m^(1/2),and the elastic modulus was 103.1 GPa.

关键词： lithium disilicate glass-ceramics transmittance mechanical properties

Spherical Polyelectrolyte Brush Nanoreactor:Preparation of Hollow TiO_(2) Nanospheres and Characterization by Small Angle X-Ray Scattering

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Chinese Journal of Polymer Science 2024年第9期42卷 1393-1400,I0009页

作者： yu-Hua Zhang Zi-yu Zhang Xin Liu En-Guang Ma Jiang-tao Guo Li Li xu-Hong Guo State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai200237China Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology College of Chemistry and Chemical EngineeringDezhou UniversityDezhou253023China Institute of Bast Fiber Crops&Center of Southern Economic Crops Chinese Academy of Agricultural SciencesChangsha410205China

Titanium dioxide(TiO_(2))hollow nanoparticles present significant potential for photocatalytic applications while their straightforward preparation with precise structure control is still *** work reports the approach to preparing tunable hollow TiO_(2) nanospheres by utilization of spherical polyelectrolyte brushes(SPB)as nanoreactors and *** the preparation,the evolution of the structure was characterized by small angle X-ray scattering(SAXS),and in combination with dynamic light scattering and transmission electron *** formation of TiO_(2) shell within the brush(SPB@TiO_(2))is confirmed by the significant increase of the electron density,and its internal structure has been analyzed by fitting SAXS data,which can be influenced by Titanium precursors and ammonia *** calcining SPB@TiO_(2) in a muffle furnace,hollow TiO_(2) nanospheres are produced,and their transition to the anatase crystal form is triggered,as confirmed by X-ray diffraction *** the advantages of their hollow structure,these TiO_(2) nanospheres exhibit exceptional catalytic degradation efficiency of methylene blue(MB),tetracycline(TC),and 2,4-dichlorophenoxyacetic acid(2,4-D),and also demonstrate excellent recyclability.

关键词： Spherical polyelectrolyte brush Nanoreactor Hollow titanium dioxide X-ray scattering

A gel polymer electrolyte based on IL@NH_(2)-MIL-53(Al)for high-performance all-solid-state lithium metal batteries

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Chinese Journal of Chemical Engineering 2024年第5期69卷 47-55页

作者： Sijia Wang Ye Liu Liang He yu Sun Qing Huang Shoudong xu Xiangyun Qiu tao Wei School of Energy and Power Jiangsu University of Science and TechnologyZhenjiang 212003China College of Materials Science and Engineering Nanjing Forestry UniversityNanjing 210037China College of Chemical Engineering and Technology Taiyuan University of TechnologyTaiyuan 030024China Power&Energy Storage System Research Center College of Mechanical and Electrical EngineeringQingdao UniversityQingdao 266071China

Solid polymer composite electrolytes possess the benefits of superior compatibility with electrodes and good thermal characteristics for more secure energy storage ***,a new gel polymer electrolyte(GPE)containing NH_(2)-MIL-53(Al),[PP_(13)][TFSI],LiTFSI,and PVDF-HFP was prepared using a simple method of solution *** effects of encapsulating different ratios of ionic liquid([PP_(13)][TFSI])into the micropores of functionalized metal-organic frameworks(NH_(2)-MIL-53(Al))on the electrochemical properties were ***,SEM,nitrogen adsorption-desorption isotherms,and electrochemical measurements were *** GPE demonstrates a superior ionic conductivity of 8.08×10^(-4)S·cm^(-1)at 60℃and can sustain a discharge specific capacity of 156.6 mA·h·g^(-1)at 0.2 C for over 100 *** work might offer a potential approach to alleviate the solid-solid contact with the solid-state electrolyte and electrodes and broaden a new window for the creation of all-solid-state batteries.

关键词： Metal-organic frameworks(MOFs) All solid-state lithium batteries(ASSLBs) Ionic liquid NH_(2)-MIL-53(Al) Solid-state electrolytes(SSEs)

A new liquid membrane diffusion model for characterizing the adsorption kinetics of europium by using a continuous measurement of adsorption platform

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Nuclear Science and Techniques 2024年第1期35卷 59-72页

作者： Hao-Qi yu tao yu Jian-Hua Ye State Key Laboratory of Nuclear Resources and Environment East China University of TechnologyNanchang 330013China CGN Cangnan Nuclear Power Co. Ltd.Cangnan 325800China Jiangxi Province Key Laboratory of Polymer Micro/Nano Manufacturing and Devices East China University of TechnologyNanchang 330013China School of Nuclear Science and Engineering East China University of TechnologyNanchang 330013China

To explore the kinetic adsorption under continuous and nonequilibrium states, an integration of continuous measurement and adsorption platform kinetics method was proposed, which was initially called the ICM-AP kinetics method, and a corresponding kinetic adsorption experimental method was developed. Adsorption experiments of europium(Eu) on Ca-bentonite,Na-bentonite, and the D231 cation exchange resin were performed using the ICM-AP kinetics method and continuous measurements. Because the kinetic experimental results observed in this study were different from those of traditional batch adsorption data, pseudo-first-order or pseudo-second-order kinetic models were unsuitable for fitting the experimental ***, a liquid membrane diffusion(LMD) model was developed based on the assumption of simultaneous adsorption/desorption to discuss the mechanism of kinetic adsorption. The kinetic adsorption mechanism was also studied by using *** results indicated that the proposed adsorption model can fit the experimental data more suitably, and the adsorption/desorption behaviors of Eu on bentonite and the D231 resin were simultaneously observed, suggesting that the adsorption kinetics of Eu(Ⅲ) was mainly dominated by hydrated Eu(Ⅲ) ions on the liquid membrane.

关键词： ICM-AP method LMD model Adsorption mechanism Eu(Ⅲ)

Collective Movement Simulation:Methods and Applications

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Machine Intelligence Research 2024年第3期21卷 452-480页

作者： Hua Wang Xing-yu Guo Hao tao Ming-Liang xu School of Computer and Artificial Intelligence Zhengzhou UniversityZhengzhou450001China Engineering Research Center of Intelligent Swarm Systems Ministry of EducationZhengzhou450001China National Supercomputing Center in Zhengzhou Zhengzhou450001China China Ship Development and Design Center Wuhan430060China

Collective movement simulations are challenging and important in many areas,including life science,mathematics,physics,information science and public *** this survey,we provide a comprehensive review of the state-of-the-art techniques for collective movement *** start with a discussion on certain concepts to help beginners understand it more ***,we analyze the intelligence among different collective objects and the emphasis in different ***,we classify existing collective movement simulation methods into four categories according to their effects,namely versatility,accuracy,dynamic adaptability,and assessment feedback ***,we introduce five applications of layout optimization,emergency control,dispatching,unmanned systems,and other derivative ***,we summarize possible future research directions.

关键词： Collective movement simulation multiple objects multiple discipline simulation effect collective intelligence