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Causal temporal graph attention network for fault diagnosis of chemical processes

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Chinese Journal of Chemical Engineering 2024年第6期70卷 20-32页

作者： Jiaojiao Luo Zhehao Jin Heping Jin qian li Xu Ji Yiyang Dai School of Chemical Engineering Sichuan UniversityChengdu 610065China China Three Gorges Corporation Beijing 100038China

Fault detection and diagnosis(FDD)plays a significant role in ensuring the safety and stability of chemical *** the development of artificial intelligence(AI)and big data technologies,data-driven approaches with excellent performance are widely used for FDD in chemical ***,improved predictive accuracy has often been achieved through increased model complexity,which turns models into black-box methods and causes uncertainty regarding their *** this study,a causal temporal graph attention network(CTGAN)is proposed for fault diagnosis of chemical processes.A chemical causal graph is built by causal inference to represent the propagation path of *** attention mechanism and chemical causal graph were combined to help us notice the key variables relating to fault *** in the Tennessee Eastman(TE)process and the green ammonia(GA)process showed that CTGAN achieved high performance and good explainability.

关键词： Chemical processes Safety Fault diagnosis Causal discovery Attention mechanism Explainability

Impacts of Water-Sediment Regulation Scheme on Chromophoric Dissolved Organic Matter in the Lower Yellow River

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Journal of Ocean University of China 2024年第2期23卷 455-466页

作者： liU Xiao JIANG Xueyan liU qian SUI Juanjuan ZOU li Key Laboratory of Marine Chemistry Theory and Technology of Ministry of Education Ocean University of ChinaQingdao 266100China College of Chemistry and Chemical Engineering Ocean University of ChinaQingdao 266100China School of Earth Sciences University of BristolBristolBS81RJUK North China Sea Environmental Monitoring Center State Oceanic AdministrationQingdao 266033China Key Laboratory of Ecological Prewarning Protection and Restoration of Bohai SeaMinistry of Natural ResourcesQingdao 266033China Key Laboratory of Marine Environment and Ecology of Ministry of Education Ocean University of ChinaQingdao 266100China College of Environmental Science and Engineering Ocean University of ChinaQingdao 266100China

As a river with more than 3000 reservoirs in its watershed,the Yellow River has been affected by dams not only on the sediment load,but also on the water ***-sediment regulation scheme(WSRS),which has been carried out annually in the Yellow River since 2002,is a typical human activity affecting river water *** dissolved organic matter(CDOM)in river is susceptible to changes in ecological and environmental conditions as well as human ***,we report variations in dissolved organic carbon concentrations,compositions and sources of CDOM in time series samples in the lower Yellow River during *** addition,a parallel factor fluorescence analysis(PARAFAC)method is applied to identify different fluorescent components in water samples during WRSR,showing four major components including tryptophan-like component(C1),microbial humic-like component(C2),terrestrial humic-like component(C3)and tyrosine-like component(C4).In general,C1 increased after water regulation,while C2 and C3 increased after sediment regulation,indicating that the water and sediment released by the dam have different effects on CDOM *** the impacts of the dam,source of CDOM in the lower Yellow River is mainly autochthonous related to microbial activities,and is regulated by the terrestrial input during WSRS *** resuspension inhibits microbial activities and reduces the production of autochthonous ***,human activities especially WSRS,as exemplified here,significantly alter the quality and quantity of CDOM in the lower Yellow River,affecting CDOM dynamics and biogeochemical processes in the estuarine environment.

关键词： chromophoric dissolved organic matter(CDOM) water-sediment regulation scheme(WSRS) Yellow River optical properties

A novel multi-resolution network for the open-circuit faults diagnosis of automatic ramming drive system

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Defence Technology（防务技术） 2024年第4期34卷 225-237页

作者： liuxuan Wei linfang qian Manyi Wang Minghao Tong Yilin Jiang Ming li School of Mechanical Engineering Nanjing University of Science and TechnologyNanjing 210094JiangsuChina Northwest Institute of Mechanical and Electrical Engineering Xianyang 712099China

The open-circuit fault is one of the most common faults of the automatic ramming drive system(ARDS),and it can be categorized into the open-phase faults of Permanent Magnet Synchronous Motor(PMSM)and the open-circuit faults of Voltage Source Inverter(VSI). The stator current serves as a common indicator for detecting open-circuit faults. Due to the identical changes of the stator current between the open-phase faults in the PMSM and failures of double switches within the same leg of the VSI, this paper utilizes the zero-sequence voltage component as an additional diagnostic criterion to differentiate *** the variable conditions and substantial noise of the ARDS, a novel Multi-resolution Network(Mr Net) is proposed, which can extract multi-resolution perceptual information and enhance robustness to the noise. Meanwhile, a feature weighted layer is introduced to allocate higher weights to characteristics situated near the feature frequency. Both simulation and experiment results validate that the proposed fault diagnosis method can diagnose 25 types of open-circuit faults and achieve more than98.28% diagnostic accuracy. In addition, the experiment results also demonstrate that Mr Net has the capability of diagnosing the fault types accurately under the interference of noise signals(Laplace noise and Gaussian noise).

关键词： Fault diagnosis Deep learning Multi-scale convolution Open-circuit Convolutional neural network

Description of martensitic transformation kinetics in Fe-C-X(X = Ni,Cr,Mn,Si) system by a modified model

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International Journal of Minerals,Metallurgy and Materials 2024年第5期31卷 1026-1036页

作者： Xiyuan Geng Hongcan Chen Jingjing Wang Yu Zhang Qun Luo qian li State Key Laboratory of Advanced Special Steels&Shanghai Key Laboratory of Advanced Ferrometallurgy&School of Materials Science and Engineering Shanghai UniversityShanghai 200444China Ansteel Beijing Research Institute Co. LtdBeijing 102211China National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China College of Materials Science and Engineering Chongqing UniversityChongqing 400044China National Key Laboratory of Advanced Casting Technologies Chongqing UniversityChongqing 400044China

Controlling the content of athermal martensite and retained austenite is important to improving the mechanical properties of high-strength steels,but a mechanism for the accurate description of martensitic transformation during the cooling process must be *** present,frequently used semi-empirical kinetics models suffer from huge errors at the beginning of transformation,and most of them fail to exhibit the sigmoidal shape characteristic of transformation *** describe the martensitic transformation process accurately,based on the Magee model,we introduced the changes in the nucleation activation energy of martensite with temperature,which led to the varying nucleation rates of this model during martensitic *** to the calculation results,the relative error of the modified model for the martensitic transformation kinetics curves of Fe-C-X(X = Ni,Cr,Mn,Si) alloys reached 9.5% compared with those measured via the thermal expansion *** relative error was approximately reduced by two-thirds compared with that of the Magee *** incorporation of nucleation activation energy into the kinetics model contributes to the improvement of its precision.

关键词： Fe-C-X system martensitic transformation kinetics curve semi-empirical model nucleation activation energy

Structural Properties of Ions and Polyelectrolytes in Aqueous Solutions under External Electric Fields:The Sign Effect

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Chinese Journal of Polymer Science 2024年第9期42卷 1341-1352,I0007页

作者： Cheng-Jiang lin Jun-Jun Wang Yuan Jiang Shu-li Chen Hong-Fei li Wen-Han Zhao Qing-rong Huang Chang-Ru rong Xiao-Zheng Duan State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei230026China National Key Laboratory of Advanced Vehicle Integration and Control China FAW Group Co.Ltd.Changchun130013China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai200438China Department of Food Science Rutgers University65 Dudley RoadNew BrunswickNew Jersey08901USA

We utilize molecular dynamics simulations to investigate the microstructures of ions and polyelectrolytes in aqueous solutions under external electric *** focusing on the multi-body interactions between ionic components and H_(2)O molecules,as well as their responses to the external electric fields,we clarify several nontrivial molecular features of the ionic and polyelectrolyte solutions,such as the solvations of cations and anions,clustering of the ions,and dispersions/aggregations of polyelectrolyte chains,as well as the corresponding responses of H_(2)O molecules in these *** simulations illustrate the variations in structures of ionic solutions caused by reversing the charge sign of the ions,and elucidate the disparity in structures between anionic and cationic polyelectrolyte solutions in the presence of the external electric *** work clarifies the mechanism for the alternations in complex multi-body interactions in aqueous solutions caused by the application electric field,which can contribute to the fundamental understanding of the physical and chemical natures of ion-containing and charged polymeric systems.

关键词： Polyelectrolyte Ions Aqueous solutions External electric fields Asymmetric dipole

Managing immune checkpoint inhibitor-associated gastritis: Insights and strategies

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World Journal of Gastroenterology 2024年第24期30卷 3120-3122页

作者： li-li Yu Zhi-lin He Xin-Lai qian Department of Pathology The Third Affiliated Hospital of Xinxiang Medical UniversityXinxiang Medical UniversityXinxiang 453003Henan ProvinceChina Department of Basic Medical Sciences Xinxiang Medical UniversityXinxiang 453003Henan ProvinceChina

Immune checkpoint inhibitors(ICIs)are widely used due to their effectiveness in treating various ***-related adverse events(irAEs)are defined as adverse effects resulting from ICI *** irAEs are a common type of irAEs characterized by intestinal side effects,such as diarrhea and colitis,which may lead to the discontinuation of ICIs.

关键词： Immunotherapy Immune checkpoint inhibitor Immune checkpoint inhibitor-related gastritis Immune-related adverse events Autoimmune responses

Oil-soluble polymer brushes-functionalized nanoMOFs for highly efficient friction and wear reduction

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Friction 2024年第7期12卷 1499-1511页

作者： Jianxi liU Yong qian Dongsheng li Wei WU Mengchen ZHANG Jie YAN Bin li Feng ZHOU State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal MaterialsSchool of Materials Science and EngineeringNorthwestern Polytechnical UniversityXi'an 710072China Shaanxi Engineering Research Center of Special Sealing Technology Xi'an Aerospace Propulsion InstituteXi'an 710100China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China

Nanomaterials as lubricating oil additives have attracted significant attention because of their designable composition and structure,suitable mechanical property,and tunable surface ***,the poor compatibility between nanomaterials and base oil limits their further *** this work,we demonstrated oil-soluble poly(lauryl methacrylate)(PLMA)brushes-grafted metal-organic frameworks nanoparticles(nanoMOFs)as lubricating oil additives that can achieve efficient friction reduction and anti-wear *** were synthesized by free-radical polymerization,which was coordinatively grafted onto the surface of the UiO-67 ***,PLMA brushes were grown on the macroinitiator-modified UiO-67 by surface-initiated atom transfer radical polymerization,which greatly improved the lipophilic property of the UiO-67 nanoparticles and significantly enhanced the colloidal stability and long-term dispersity in both non-polar solvent and base *** adding UiO-67@PLMA nanoparticles into the 500 SN base oil,coefficient of friction and wear volume reductions of 45.3%and 75.5%were achieved due to their excellent mechanical properties and oil ***,the load-carrying capacity of 500 SN was greatly increased from 100 to 500 N by the UiO-67@PLMA additives,and their excellent tribological performance was demonstrated even at a high friction frequency of 65 Hz and high temperature of 120℃.Our work highlights oil-soluble polymer brushes-functionalized nanoMOFs for highly efficient lubricating additives.

关键词： MOFs polymer brushes surface modification tribological properties friction reduction anti-wear

Carbon-based interface engineering and architecture design for high-performance lithium metal anodes

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Carbon Energy 2024年第1期6卷 207-235页

作者： Na Zhu Yuxiang Yang Yu li Ying Bai Junfeng rong Chuan Wu SINOPEC Research Institute of Petroleum Processing Co. Ltd.BeijingChina Beijing Key Laboratory of Environmental Science and Engineering School of Materials Science and EngineeringBeijing Institute of TechnologyBeijingChina Yangtze Delta Region Academy of Beijing Institute of Technology JiaxingChina

Metallic lithium(li)is considered the“Holy Grail”anode material for the nextgeneration of li batteries with high energy density owing to the extraordinary theoretical specific capacity and the lowest negative electrochemical ***,owing to inhomogeneous li-ion flux,li anodes undergo uncontrollable li deposition,leading to limited power output and practical *** materials and their composites with controllable structures and properties have received extensive attention to guide the homogeneous growth of li to achieve high-performance li *** this review,the correlation between the behavior of li anode and the properties of carbon materials is ***,we review emerging strategies for rationally designing high-performance li anodes with carbon materials,including interface engineering(stabilizing solid electrolyte interphase layer and other functionalized interfacial layer)and architecture design of host carbon(constructing three-dimension structure,preparing hollow structure,introducing lithiophilic sites,optimizing geometric effects,and compositing with li).Based on the insights,some prospects on critical challenges and possible future research directions in this field are *** is anticipated that further innovative works on the fundamental chemistry and theoretical research of li anodes are needed.

关键词： carbon materials dendrites hosts interfacial layers li metal anodes

Prediction of the thermal conductivity of Mg–Al–La alloys by CALPHAD method

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International Journal of Minerals,Metallurgy and Materials 2024年第1期31卷 129-137页

作者： Hongxia li Wenjun Xu Yufei Zhang Shenglan Yang lijun Zhang Bin liu Qun Luo qian li State Key Laboratory of Advanced Special Steels&Shanghai Key Laboratory of Advanced Ferrometallurgy&School of Materials Science and Engineering Shanghai UniversityShanghai 200444China National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China State Key Laboratory of Powder Metallurgy Central South UniversityChangsha 410083China College of Materials Science and Engineering Chongqing UniversityChongqing 400044China National Key Laboratory of Advanced Casting Technologies Chongqing UniversityChongqing 400044China

Mg-Al alloys have excellent strength and ductility but relatively low thermal conductivity due to Al *** accurate prediction of thermal conductivity is a prerequisite for designing Mg-Al alloys with high thermal ***,databases for predicting temperature-and composition-dependent thermal conductivities must be *** this study,Mg-Al-La alloys with different contents of Al2La,Al3La,and Al11La3phases and solid solubility of Al in the α-Mg phase were *** influence of the second phase(s) and Al solid solubility on thermal conductivity was *** results revealed a second phase transformation from Al_(2)La to Al_(3)La and further to Al_(11)La_(3)with the increasing Al content at a constant La *** degree of the negative effect of the second phase(s) on thermal diffusivity followed the sequence of Al2La>Al3La>Al_(11)La_(3).Compared with the second phase,an increase in the solid solubility of Al in α-Mg remarkably reduced the thermal *** the basis of the experimental data,a database of the reciprocal thermal diffusivity of the Mg-Al-La system was established by calculation of the phase diagram (CALPHAD)*** a standard error of±1.2 W/(m·K),the predicted results were in good agreement with the experimental *** established database can be used to design Mg-Al alloys with high thermal conductivity and provide valuable guidance for expanding their application prospects.

关键词： magnesium alloy thermal conductivity thermodynamic calculations materials computation