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Machine learning-driven optimization of plasma-catalytic dry reforming of methane

Journal of Energy Chemistry 2024年第9期96卷 153-163页

作者： Yuxiang cai Danhua Mei Yanzhen Chen Annemie Bogaerts Xin Tu Department of Electrical Engineering and Electronics University of LiverpoolLiverpool L693GJUK Research Group PLASMANT Department of ChemistryUniversity of AntwerpUniversiteitsplein 1BE-2610 Wilrijk-AntwerpBelgium College of Electrical Engineering and Control Science Nanjing Tech UniversityNanjing 211816JiangsuChina

This study investigates the dry reformation of methane(DRM)over Ni/Al_(2)O_(3)catalysts in a dielectric barrier discharge(DBD)non-thermal plasma reactor.A novel hybrid machine learning(ML)model is developed to optimize the plasma-catalytic DRM reaction with limited experimental *** address the non-linear and complex nature of the plasma-catalytic DRM process,the hybrid ML model integrates three well-established algorithms:regression trees,support vector regression,and artificial neural networks.A genetic algorithm(GA)is then used to optimize the hyperparameters of each algorithm within the hybrid ML *** ML model achieved excellent agreement with the experimental data,demonstrating its efficacy in accurately predicting and optimizing the DRM *** model was subsequently used to investigate the impact of various operating parameters on the plasma-catalytic DRM *** found that the optimal discharge power(20 W),CO_(2)/CH_(4)molar ratio(1.5),and Ni loading(7.8 wt%)resulted in the maximum energy yield at a total flow rate of∼51 mL/***,we investigated the relative significance of each operating parameter on the performance of the plasma-catalytic DRM *** results show that the total flow rate had the greatest influence on the conversion,with a significance exceeding 35%for each output,while the Ni loading had the least impact on the overall reaction *** hybrid model demonstrates a remarkable ability to extract valuable insights from limited datasets,enabling the development and optimization of more efficient and selective plasma-catalytic chemical processes.

关键词： Plasma catalysis Machine learning Process optimization Dry reforming of methane Syngas production

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Upgrading waste NO_(x) into amino acids via electrocatalysis on Co nanoparticles encapsulated in hollow carbon nanofibers

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Science China Chemistry 2024年第6期67卷 1946-1952页

作者： Jiahui Xian Kaixing cai Peisen Liao Shihan Wang Guangqin Li Key Laboratory of Bioinorganic and Synthetic Chemistry of Ministry of Education LIFMIGCMESchool of ChemistrySun Yat-Sen UniversityGuangzhou510275China

Electrocatalytic conversion of waste nitrogen oxide(NO_(x))into value-added nitrogenous chemicals,especially amino acid,is an emerging strategy to alleviate NO_(x)***,this process suffers from the coexistence of multiple competitive reactions leading to complex product distribution and low efficiency,and thus the rational design and modulation of efficient catalysts remains a formidable ***,well-designed Co nanoparticles encapsulated in hollow carbon nanofiber(CoHCNF)were constructed to promote the amino acid electrosynthesis via dealing waste NO_(x)coupling with biomass-derived keto *** to the rapid reactant diffusion,electron transport and efficient contact with abundant accessible Co catalytic sites stemmed from the unique hollow nanotubular structure,Co-HCNF manifested impressive glycine synthesis performance in one-pot adopting NO as the nitrogen source with Faradaic efficiency(FE)of 41.7%and a corresponding yield rate of 222.3μmol h^(-1)as well as 120 h robust ***,it also demonstrates an excellent performance with the FE of 42.8%for NO_(3)~-solution as the nitrogen ***,this strategy displays a broad universality for the synthesis of other amino *** work not only highlights the importance of hollow-structuring electrocatalyst towards upgrading wasted NO_(x)species into amino acids,but also promotes the further development of electrosynthetic systems for high-valued N-containing organic chemicals.

关键词： electrocatalysis NO_(x)reduction amino acid porous materials hollow structure

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An Advanced Image Processing Technique for Backscatter-Electron Data by Scanning Electron Microscopy for Microscale Rock Exploration

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Journal of Earth Science 2024年第1期35卷 301-305页

作者： Zhaoliang Hou Kunfeng Qiu Tong Zhou Yiwei cai Frontiers Science Center for Deep-time Digital Earth China University of GeosciencesBeijing 100083China Department of Geology University of ViennaVienna 1090Austria State Key Laboratory of Geological Processes and Mineral Resources School of Earth Sciences and ResourcesChinaUniversity of GeosciencesBeijing 100083China

Backscatter electron analysis from scanning electron microscopes(BSE-SEM)produces high-resolution image data of both rock samples and thin-sections,showing detailed structural and geochemical(mineralogical)*** allows an in-depth exploration of the rock microstructures and the coupled chemical characteristics in the BSE-SEM image to be made using image processing *** image processing is a powerful tool for revealing the more subtle data“hidden”in a picture,it is not a commonly employed method in geoscientific microstructural ***,we briefly introduce the general principles of image processing,and further discuss its application in studying rock microstructures using BSE-SEM image data.

关键词： Image processing rock microstructures electron-based imaging data mining

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Low-cycle fatigue behavior of solutionized and aged WE43 magnesium alloys at room temperature

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Journal of Magnesium and Alloys 2024年第6期12卷 2284-2297页

作者： Yong cai Jianxiong Wei Hong Yan Yipeng Chen Rongshi Chen School of Materials Science and Engineering University of Science and Technology of China72 Wenhua RoadShenyang 110016China Shi-changxu Innovation Center for Advanced Materials Institute of Metal ResearchChinese Academy of Sciences72 Wenhua RoadShenyang 110016China School of Materials Science and Engineering Shandong University of Science and TechnologyQingdaoShandong 266590China

The low-cycle fatigue behavior of solutionized(T4)and aged(T6)WE43 magnesium alloys was studied at room *** total strain amplitudes(△ε_(t)/2)were 0.4%,0.5%,0.6%,0.7%and 1.0%.Detailed microstructure evolution was characterized by scanning electron microscope(SEM),electron backscattered diffraction(EBSD)and transmission electron microscopy(TEM).The results showed that plastic strain amplitude decreased with the increasing cycle number in T4 alloy,which is due to the dense persistent slip bands(PSBs)and dynamic precipitates hinderingdislocation *** contrast,the plastic strain amplitude increases gradually in T6 alloy,which is attributed to the enhanced activation of pyramidal *** low-cycle fatigue life of T6 alloy with larger fatigue ductility coefficient is longer than that of T4 *** Coffin-Manson model can accurately predict the fatigue life of T4 and T6 alloys compared to Jahed-Varvani(JV)energy *** T4 alloy,the fatigue damage mechanism was dominated by basal *** T6 alloy,the enhanced pyramidal slip plays an important role to accommodate plastic deformation.

关键词： Low-cycle fatigue WE43 alloy Cyclic hardening/softening JV model Dislocation

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Base-controlled NHC-Ru-catalyzed transfer hydrogenation andα-methylation/transfer hydrogenation of ketones using methanol

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Chinese Chemical Letters 2024年第7期35卷 276-280页

作者： Ming Huang Xiuju cai Yan Liu Zhuofeng Ke School of pharmacy School of clinical pharmacyGuangdong Pharmaceutical UniversityGuangzhou 510006China School of Materials Science&Engineering PCFM LabSchool of ChemistrySun Yat-sen UniversityGuangzhou 510275China School of Chemical Engineering and Light Industry Guangdong University of TechnologyGuangzhou 510006China

Herein,we report the NHC-Ru catalyst system that realizes the chemo-selective transformation of ketones with *** simply changing the base,a broad range of structurally diverse ketones,could be selectively and efficiently converted to the correspondingβ-methylated secondary alcohols or secondary ***,this catalytic system was very effective for the synthesis of bio-related molecules and deuterated alcohols,as well as the three-component coupling between methyl ketones,primary alcohols,and *** reaction mechanism was further revealed by experiment and DFT mechanistic investigations.

关键词： Ru complexes Methanol Ketones β-Methylated secondary alcohols Transfer hydrogenation

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Emerging role of regulated cell death in intestinal failure-associated liver disease

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Hepatobiliary & Pancreatic Diseases International 2024年第3期23卷 228-233页

作者： Si-Yang Cheng Lu Jiang Ying Wang Wei cai Department of Pediatric Surgery Xinhua HospitalSchool of MedicineShanghai Jiao Tong UniversityShanghai 200092China Shanghai Key Laboratory of Pediatric Gastroenterology and Nutrition Shanghai 200092China Shanghai Institute for Pediatric Research Shanghai 200092China Division of Pediatric Gastroenterology and Nutrition Xinhua HospitalSchool of MedicineShanghai Jiao Tong UniversityShanghai 200092China

Intestinal failure-associated liver disease(IFALD)is a common complication of long-term parenteral nutrition that is associated with significant morbidity and *** is mainly characterized by cholestasis in children and steatohepatitis in ***,there is no effective approach to prevent or reverse the *** cell death(RCD)represents a fundamental biological paradigm that determines the outcome of a variety of liver *** cell death is reclassified into several types,based on the mechanisms and morphological *** evidence has linked different modes of RCD,such as apoptosis,necroptosis,ferroptosis,and pyroptosis to the pathogenesis of liver *** studies have shown that different modes of RCD are present in animal models and patients with *** the pathogenic roles of cell death may help uncover the underlying mechanisms and develop novel therapeutic strategies in *** this review,we discuss the current knowledge on how RCD may link to the pathogenesis of *** highlight examples of cell death-targeted interventions aiming to attenuate the disease,and provide perspectives for future basic and translational research in the field.

关键词： Parenteral nutrition Apoptosis Necroptosis Cholestasis Steatosis

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Multi-faceted spatio-temporal network for weather-aware air traffic flow prediction in multi-airport system

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Chinese Journal of Aeronautics 2024年第7期37卷 301-316页

作者： Kaiquan cai Shuo TANG Shengsheng QIAN Zhiqi SHEN Yang YANG School of Electronic and Information Engineering Beihang UniversityBeijing 100191China State Key Laboratory of CNS/ATM Beijing100191China Institute of Automation Chinese Academy of SciencesBeijing 100190China Research Institute for Frontier Science Beihang UniversityBeijing 100191China

As one of the core modules for air traffic flow management,Air Traffic Flow Prediction(ATFP)in the Multi-Airport System(MAS)is a prerequisite for demand and capacity balance in the complex meteorological *** to the challenge of implicit interaction mechanism among traffic flow,airspace capacity and weather impact,the Weather-aware ATFP(Wa-ATFP)is still a nontrivial *** this paper,a novel Multi-faceted Spatio-Temporal Graph Convolutional Network(MSTGCN)is proposed to address the Wa-ATFP within the complex operations of ***,a spatio-temporal graph is constructed with three different nodes,including airport,route,and fix to describe the topology structure of ***,a weather-aware multi-faceted fusion module is proposed to integrate the feature of air traffic flow and the auxiliary features of capacity and weather,which can effectively address the complex impact of severe weather,e.g.,***,to capture the latent connections of nodes,an adaptive graph connection constructor is *** experimental results with the real-world operational dataset in Guangdong-Hong Kong-Macao Greater Bay Area,China,validate that the proposed approach outperforms the state-of-the-art machine-learning and deep-learning based baseline approaches in performance.

关键词： Air traffic control Graph neural network Multi-faceted information Air traffic flow prediction Multi-airport system

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Solving Multi-Objective Vehicle Routing Problems with Time Windows: A Decomposition-Based Multiform Optimization Approach

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Tsinghua Science and Technology 2024年第2期29卷 305-324页

作者： Yiqiao cai Zifan Lin Meiqin Cheng Peizhong Liu Ying Zhou Xiamen Key Laboratory of Data Security and Blockchain Technology College of Computer Science and TechnologyHuaqiao UniversityXiamen361021China College of Engineering Huaqiao UniversityQuanzhou362000China School of Computer Sciences Shenzhen Institute of Information TechnologyShenzhen518000China

In solving multi-objective vehicle routing problems with time windows (MOVRPTW),most existing algorithms focus on the optimization of a single problem formulation. However,little effort has been devoted to exploiting valuable knowledge from the alternate formulations of MOVRPTW for better optimization performance. Aiming at this insufficiency,this study proposes a decomposition-based multi-objective multiform evolutionary algorithm (MMFEA/D),which performs the evolutionary search on multiple alternate formulations of MOVRPTW simultaneously to complement each other. In particular,the main characteristics of MMFEA/D are three folds. First,a multiform construction (MFC) strategy is adopted to construct multiple alternate formulations,each of which is formulated by grouping several adjacent subproblems based on the decomposition of MOVRPTW. Second,a transfer reproduction (TFR) mechanism is designed to generate offspring for each formulation via transferring promising solutions from other formulations,making that the useful traits captured from different formulations can be shared and leveraged to guide the evolutionary search. Third,an adaptive local search (ALS) strategy is developed to invest search effort on different alternate formulations as per their usefulness for MOVRPTW,thus facilitating the efficient allocation of computational resources. Experimental studies have demonstrated the superior performance of MMFEA/D on the classical Solomon instances and the real-world instances.

关键词： MOVRPTW multiform optimization multiform construction knowledge transfer adaptive local search

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Microstructure and impact behavior of Mg-4Al-5RE-xGd cast magnesium alloys

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Journal of Magnesium and Alloys 2024年第5期12卷 1799-1814页

作者： Jie Wei Qudong Wang Huisheng cai Mahmoud Ebrahimi Chuan Lei National Engineering Research Center of Light Alloy Net Forming and Key State Laboratory of Metal Matrix Composites School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200240China

This work investigated the microstructure and impact behavior of Mg-4Al-5RE-xGd(RE represents La-Ce mischmetal;x=0,0.2,0.7 wt.%)alloys cast by high-pressure die casting(HPDC),permanent mold casting(PMC),and sand casting(SC)*** results indicated that with increasing Gd content,the grain sizes of the HPDC alloy had a slight change,but the grains of the PMC and SC alloys were significantly ***,the acicular Al_(11)RE_(3)phase was modified into the short-rod shape under the three casting *** impact toughness of the studied alloy was mainly dominated by the absorbed energy during the crack *** increasing Gd content,the impact toughness of the studied alloy monotonically increased due to the lower tendency of the modified second phase toward crack *** impact stress was higher than the tensile stress,exhibiting a strain rate sensitivity for the mechanical response;however,the HPDC alloy had an inconsistent strain rate sensitivity during the impact event due to the transformation of the deformation mechanism from twinning to slip with increasing *** dimples covered the fracture surface of the fine-grained HPDC alloys,indicating a typical ductile ***,due to the deficient{1012}twinning activity and the suppressed grain boundary sliding during the impact event,the HPDC alloys showed insufficient plastic deformation capacity.

关键词： Mg-Al-RE alloy Gadolinium Microstructure Impact behavior

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Facile intercalation of alkali ions in WO_(3)for modulated electronic and optical properties:Implications for artificial synapses and chromogenic application

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Science China(Physics,Mechanics & Astronomy) 2024年第2期67卷 149-160页

作者： Changmeng Huan Zihan Lu Silin Tang Yongqing cai Qingqing Ke School of Microelectronics Science and Technology Sun Yat-sen UniversityZhuhai 519082China Guangdong Provincial Key Laboratory of Optoelectronic Information Processing Chips and Systems Sun Yat-sen UniversityZhuhai 519082China Institute of Applied Physics and Materials Engineering University of MacaoTaipaMacao 999078China

Tungsten oxides(WO_(3))are widely recognized as multifunctional systems owing to the existence of rich *** diverse phases exhibit distinct octahedra-tilting patterns,generating substantial tunnels that are ideally suited for ***,a quantitative comprehension regarding the impact of distinct phases on the kinetics of intercalated conducting ions remains ***,we employ first-principles calculations to explore the spatial and orientational correlations of ion transport inγ-and h-WO_(3),shedding light on the relationship between diffusion barriers and the size of the conducting *** findings reveal that different types and concentrations of alkali-metals induce distinct and continuous lattice distortions in WO_(3)***,γ-WO_(3)is more appropriate to accommodate Li+ions,exhibiting a diffusion barrier and coefficient of 0.25 eV and 9.31×10^(-8)cm^(2)s^(-1),***,h-WO_(3)features unidirectional and sizeable tunnels that facilitate the transport of K+ions with an even lower barrier and a high coefficient of 0.11 e V and 2.12×10^(-5)cm^(2)s^(-1),***,the introduction of alkali-metal into WO_(3)tunnels tends to introduce n-type conductivity by contributing s-electrons to the unoccupied W 5d states,resulting in enhanced conductivity and tunable electronic *** alkali metals in WO_(3)tunnels are prone to charge transfer,forming small polaronic states and modulating the light absorption in the visible and nearinfrared *** tunable electronic and optical properties,combined with the high diffusion coefficient,underscore the potential of WO_(3)in applications such as artificial synapses and chromogenic devices.

关键词： WO_(3)polymorphs ion insertion kinetic activity tunable electronic and optical properties iontronics

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