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Two-dimensional C_(2.N-based single-atom catalyst with complex microenvironment for enhanced electrochemical nitrogen reduction:A descriptor-based design

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Journal of Energy Chemistry 2024年第10期97卷 110-119,I0003页

作者： Enduo Dai Wei An Ruixian Guo Xugen Shi Yunyi Li Yibo Wang Mingming Liu College of Chemistry and Chemical engineering.shanghai University of engineering Science Shanghai 201620China

The catalytic descriptor with operational feasibility is highly desired towards rational design of high-performance catalyst especially the electrode/electrolyte solution interface working under mild ***,we demonstrate that the descriptorΩparameterized by readily accessible intrinsic properties of metal center and coordination is highly operational and efficient in rational design of single-atom catalyst(SAC)for driving electrochemical nitrogen reduction(NRR).Using twodimensional metal(M)-B_(x)P_(y)S_(z)N_m@C_(2.N as prototype SAC models,we reveal that^(*)N_(2.+(H~++e~-)→^(*)N_(2.H acts predominantly as the potential-limiting step(PLS)of NRR on M-B_(2.P_(2.S_(2.@C_(2.N and M-B_(1)P_(1)S_(1)N_(3)@C_(2.N regardless of the distinction in coordination *** the 2. screened M active sites,withΩvalues close to the optimal 4,M-B_(2.P_(2.S_(2.@C_(2.N(M=V(Ω=3.53),Mo(Ω=5.12.,and W(Ω=3.92.)and M-B_(1)P_(1)S_(1)N_(3)@C_(2.N(M=V(Ω=3.00),Mo(Ω=4.34),and W(Ω=3.32.)yield the lowered limiting potential(U_(L))as-0.45,-0.54.-0.36,-0.58,-0.2.,and-0.2. V,respectively,thus making them the promising NRR *** importantly,these SACs are located around the top of volcano-shape plot of U_(L) versusΩ,re-validatingΩas an effective descriptor for accurately predicting the high-activity NRR SACs even with complex *** study unravels the relationship between active-site structure and NRR performance via the descriptorΩ,which can be applied to other important sustainable electrocatalytic reactions involving activation of small molecules viaσ-donation andπ^(*)-backdonation mechanism.

关键词： Electrocatalysis N_(2. reduction Single-atom catalyst Descriptor DFT

Direct observation of shock-induced phase transformation in polycrystalline iron via in situ x-ray diffraction

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Chinese Physics B 2024年第10期33卷 337-342页

作者： Fan Zhang Jia-Qin Dong Zhi-Yong Xie Zhi-Yu He Hua Shu Rui-Rong Wang Jun Xiong Guo Jia Zhi-Heng Fang Wei Wang Da-Wu Xiao An-Le Lei Jie Chen Xiu-Guang Huang Collaborative Innovation center of IFSA(CICIFSA) School of Physics and AstronomyCenter for Ultrafast Science and TechnologyKey Laboratory for Laser Plasmas(Ministry of Education)Shanghai Jiao Tong UniversityShanghai 200240China shanghai Institute of Laser Plasma China Academy of Engineering PhysicsShanghai 201800China Institute of Materials China Academy of Engineering PhysicsMianyang 621700China

Phase transition of polycrystalline iron compressed along the Hugoniot is studied by combining laser-driven shock with in situ x-ray diffraction *** is suggested that polycrystalline iron changes from an initial body-centered cubic structure to a hexagonal close-packed structure with increasing pressure(i.e.,a phase transition fromαtoε).The relationship between density and pressure for polycrystalline iron obtained from the present experiments is found to be in good agreement with the gas-gun Hugoniot *** results show that experiments with samples at lower temperatures under static loading,such as in a diamond anvil cell,lead to higher densities measured than those found under dynamic *** means that extrapolating results of static experiments may not predict the dynamic responses of materials *** addition,neither the face-centered cubic structure seen in previous molecular-dynamics simulations or twophase coexistence are found within our experimental pressure range.

关键词： in situ x-ray diffraction phase transition polycrystalline iron

Thermal safety boundary of lithium-ion battery at different state of charge

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Journal of Energy Chemistry 2024年第4期91卷 59-72页

作者： Hang Wu Siqi Chen Yan Hong Chengshan Xu Yuejiu Zheng Changyong Jin Kaixin Chen Yafei He Xuning Feng Xuezhe Wei Haifeng Dai Clean Energy Automotive engineering center Tongji UniversityShanghai 201804China College of Mechanical engineering University of Shanghai for Science and TechnologyShanghai 200093China State Key Laboratory of Automotive Safety and Energy Tsinghua UniversityBeijing 100084China

Thermal runaway(TR)is a critical issue hindering the large-scale application of lithium-ion batteries(LIBs).Understanding the thermal safety behavior of LIBs at the cell and module level under different state of charges(SOCs)has significant implications for reinforcing the thermal safety design of the lithium-ion battery *** study first investigates the thermal safety boundary(TSB)correspondence at the cells and modules level under the guidance of a newly proposed concept,safe electric quantity boundary(SEQB).A reasonable thermal runaway propagation(TRP)judgment indicator,peak heat transfer power(PHTP),is proposed to predict whether TRP ***,a validated 3D model is used to quantitatively clarify the TSB at different SOCs from the perspective of PHTP,TR trigger temperature,SOC,and the full cycle ***,three different TRP transfer modes are *** interconversion relationship of three different TRP modes is investigated from the perspective of *** paper explores the TSB of LIBs under different SOCs at both cell and module levels for the first time,which has great significance in guiding the thermal safety design of battery systems.

关键词： Lithium-ion battery Battery safety Thermal runaway State of charge Numerical analysis

New Lite YOLOv4-Tiny Algorithm and Application on Crack Intelligent Detection

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Journal of shanghai Jiaotong university(Science) 2024年第3期29卷 528-536页

作者：宋立博费燕琼 Student Innovation center Shanghai Jiao Tong UniversityShanghai 200240China School of Mechanical engineering Shanghai Jiao Tong UniversityShanghai 200240China

Conforming to the rapidly increasing market demand of crack detection for tall buildings,the idea of integrating deep network technology into wall-climbing robot for crack detection is put forward in this *** the dependence and hardware requirements when deployed on such edge devices as Raspberry Pi into consideration,the Darknet neural network is selected as the basic framework for *** order to improve the inference efficiency on edge devices and avoid the possible premature over-fitting of deep networks,the lite YOLOv4-tiny algorithm is then improved from the original YOLOv4-tiny algorithm and its structure is illustrated using Netron *** images downloaded from Internet and taken from the buildings in campus are processed to form crack detection data sets,which are trained on personal computer with the AlexeyAB version of Darknet to generate weight ***,the AlexeyAB version of Darknet accelerated by NNpack package is deployed on Raspberry Pi 4B,and the crack detection experiments are carried *** characteristics,e.g.,fast speed and lower false detection rate of the lite YOLOv4-tiny algorithm,are confirmed by comparison with those of original YOLOv4-tiny *** innovations of this paper focus on the simple network structure,fewer network layers,and earlier forward transmission of features to prevent over-fitting,showing the new lite neural network exceeds the original YOLOv4-tiny network significantly.

关键词： intelligent detection deep network edge device Raspberry Pi

Quintessence anisotropic stellar models in quadratic and Born-Infeld modified teleparallel Rastall gravity

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Chinese Physics B 2024年第3期33卷 179-189页

作者： Allah Ditta 夏铁成 Irfan Mahmood Asif Mahmood Department of Mathematics Shanghai University and Newtouch Center for Mathematics of Shanghai UniversityShanghai 200444China Centre for High Energy Physics University of the PunjabLahorePakistan College of engineering Chemical Engineering DepartmentKing Saud University RiyadhSaudi Arabia

This study aims to discuss anisotropic solutions that are spherically symmetric in the quintessence field,which describe compact stellar objects in the modified Rastall teleparallel theory of *** achieve this goal,the Krori and Barua arrangement for spherically symmetric components of the line element is *** explore the field equations by selecting appropriate off-diagonal tetrad ***-Infeld function of torsion f(T)=β√λT+1-1 and power law form h(T)=δTn are *** Born-Infeld gravity was the first modified teleparallel gravity to discuss *** use the linear equation of state pr=ξρto separate the quintessence *** obtaining the field equations,we investigate different physical parameters that demonstrate the stability and physical acceptability of the stellar *** use observational data,such as the mass and radius of the compact star candidates PSRJ 1416-2.30,Cen X-3,&4U 182.-30,to ensure the physical plausibility of our findings.

关键词： anisotropic spheres quintessence field modified Rastall teleparallel gravity equation of state(EoS) f(T)gravity

PRX1-positive mesenchymal stem cells drive molar morphogenesis

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International Journal of Oral Science 2024年第2期16卷 293-305页

作者： Xiaoqiao Xu Xuyan Gong Lei Zhang Han Zhang Yao Sun Department of Implantology Stomatological Hospital and Dental School of Tongji UniversityShanghai Engineering Research Center of Tooth Restoration and RegenerationShanghaiChina

Mammalian teeth,developing inseparable from epithelial-mesenchymal interaction,come in many shapes and the key factors governing tooth morphology deserve to be *** merging single-cell RNA sequencing analysis with lineage tracing models,we have unearthed a captivating correlation between the contrasting morphology of mouse molars and the specific presence of PRX1^(+)cells within *** PRX1^(+)cells assume a profound responsibility in shaping tooth morphology through a remarkable divergence in dental mesenchymal cell *** into the mechanisms,we have discovered that Wnt5a,bestowed by mesenchymal PRX1^(+)cells,stimulates mesenchymal cell proliferation while orchestrating molar morphogenesis through WNT signaling *** loss of Wnt5a exhibits a defect phenotype similar to that of *** addition of WNT5A can successfully reverse the inhibited cell proliferation and consequent deviant appearance exhibited in Prx1-deficient tooth *** findings bestow compelling evidence of PRX1-positive mesenchymal cells to be potential target in regulating tooth morphology.

关键词： Wnt5a mesenchymal inhibited

Summer gregarine infection in Antarctic krill Euphausia superba in the Dumont D’Urville Sea,East Antarctic

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Journal of Oceanology and Limnology 2024年第5期42卷 1651-1658页

作者： Yi XIONG Sijie ZHAO Guoping ZHU College of Marine Living Resource Sciences and Management Shanghai Ocean UniversityShanghai 201306China center for Polar Research Shanghai Ocean UniversityShanghai 201306China Polar Marine Ecosystem Group the Key Laboratory of Sustainable Exploitation of Oceanic Fisheries ResourcesMinistry of EducationShanghai 201306China national engineering Research {2. for Oceanic Fisheries Shanghai 201306China

Antarctic krill Euphausia superba plays a key role in the Antarctic food *** trophic linkage between krill and other macro-organisms has been studied in the past decades,but the variability of parasites in krill is less studied and remains poorly ***,it is important to understand the factors that influence abundance and infection of parasites in ***,the relationship between the infection intensity of parasite and krill diet needs to be clarified,which is helpful for understanding the role of parasite in the food *** investigated the abundance of the highly prevalent gregarine parasites in the digestive tract of krill and the factors influencing the gregarine infection to krill in the East *** infection rate of Cephaloidophora pacifica Avdeev,1985 to krill(n=50 individuals)was 94%.The results of generalized linear model show the infection intensity of *** to the host was related significantly to the station,krill size,and maturity stage,but not the food species and abundance in the stomach of *** of *** in krill differed among stations,and the lowest abundance occurred in the station nearest to the *** abundance varied among sexual maturity stages of krill and increased with krill size.

关键词： Cephaloidophora pacifica Euphausiids parasite diet dinoflagellate

Experimental and numerical investigation of the impacts of rotor tip-rake on excitation forces of pump-jet propulsors

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Journal of Hydrodynamics 2024年第1期36卷 142-157页

作者： Xue-qin Ji Xiao-song Zhang Chen-jun Yang Xiao-qian Dong State Key Laboratory of Ocean engineering Marine Numerical Experiment CentreSchool of Naval ArchitectureOcean and Civil EngineeringShanghai Jiao Tong UniversityShanghai200240China CSSC shanghai Marine Energy Saving Technology Co. Ltd.Shanghai200011China China Ship Scientific Research center shanghai Branch Shanghai200011China

The tip-clearance flow in a pump-jet propulsor exerts great impacts on the fluctuating pressures and resultant unsteady forces,which are important sources of structural vibrations and radiated noise *** blade geometry close to the tip is an important factor determining the vortex strength in the tip-clearance *** the open-water condition,the effects of raking the rotor tips on the duct-surface fluctuating pressures and the resultant unsteady forces acting on different components of the propulsor are investigated via physical model experiments and the numerical solution of Reynolds-averaged Navier-Stokes(RANS)equations coupled with the SST k-ωturbulence *** measured and simulated results of hydrodynamic pressures are consistent to each other,and the simulated flows help better understand why the fluctuating pressures change with the tip *** strong fluctuations of duct-surface pressures are caused by intensive tip separation *** duct-surface pressure fluctuations are effectively reduced by using the rake distribution near the tip towards blade back side and,for the combination of the five-bladed rotor and the seven-bladed stator,the resultant unsteady horizontal(and vertical)forces acting on the duct and stator are also reduced;while increasing rake leads to negative effect on pressure fluctuations and unsteady horizontal(and vertical)forces acting on all the components of the propulsor.

关键词： Pump-jet tip-clearance tip-rake fluctuating pressures excitation forces

Lewis Base Catalyzed Selenofunctionalization of Alkynes with Acid-Controlled Divergent Chemoselectivity

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Chinese Journal of Chemistry 2024年第14期42卷 1623-1629页

作者： Ling-Ling Chen Ren-Fei Cao Hua Ke Zhi-Min Chen School of Chemistry and Chemical engineering Shanghai Key Laboratory for Molecular Engineering of Chiral DrugsShanghai Jiao Tong UniversityShanghai200240 China engineering Technology Research center for Environmental Protection Materials Pingxiang UniversityPingxiangJiangxi337055 China

Lewis base catalyzed and Brønsted acid controlled chemodivergent electrophilic selenofunctionalizations of alkynes were developed for the first *** selenium-containing tetrasubstituted alkenes were readily obtained in moderate to excellent yields with complete E/Z *** the substrates were 1-ethynyl naphthol derivatives,linear selenium-containing tetrasubstituted alkenes were produced via intermolecular oxygen nucleophilic attack in the absence of acid additive;in contrast,cyclic selenium-containing tetrasubstituted alkenes were generated through intramolecular carbon nucleophilic capture with the addition of Brønsted acid.

关键词： Alkynes Electrophilic addition Chemoselectivity Lewis base catalysis Selenofunctionalization