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single-atom Pt on carbon nanotubes for selective electrocatalysis

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Carbon Energy 2024年第1期6卷 63-71页

作者： samuel s.Hardisty Xiaoqian Lin Anthony r.j.Kucernak David Zitoun Department of Chemistry Bar Ilan Institute of Nanotechnology and Advanced Materials(BINA)Bar Ilan UniversityRamat GanIsrael Department of Chemistry Molecular Science Research HubImperial College LondonLondonUK

Utilizing supported single atoms as catalysts presents an opportunity to reduce the usage of critical raw materials such as platinum,which are essential for electrochemical reactions such as hydrogen oxidation reaction(HOr).Herein,we describe the synthesis of a Pt single electrocatalyst inside single-walled carbon nanotubes(sWCNTs)via a redox *** via electron microscopy,X-ray photoelectron microscopy,and X-ray absorption spectroscopy show the single-atom nature of the *** electrochemical behavior of the sample to hydrogen and oxygen was investigated using the advanced floating electrode technique,which minimizes mass transport limitations and gives a thorough insight into the activity of the *** single-atom samples showed higher HOr activity than state-of-the-art 30%Pt/C while almost no oxygen reduction reaction activity in the proton exchange membrane fuel cell operating *** selective activity toward HOr arose as the main fingerprint of the catalyst confinement in the sWCNTs.

关键词： confinement electrocatalysis hydrogen platinum single atom catalysts

Generalized polynomial chaos expansion by reanalysis using static condensation based on substructuring

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Applied Mathematics and Mechanics(English Edition) 2024年第5期45卷 819-836页

作者： D.LEE s.CHANG j.LEE Department of Automotive Engineering Hanyang UniversitySeoul 04763Republic of Korea school of Mechanical Engineering Chungnam National UniversityDaejeon 34134Republic of Korea Department of Mechanical Robotics and Energy EngineeringDongguk UniversitySeoul 04620Republic of Korea

This paper presents a new computational method for forward uncertainty quantification(UQ)analyses on large-scale structural systems in the presence of arbitrary and dependent random *** method consists of a generalized polynomial chaos expansion(GPCE)for statistical moment and reliability analyses associated with the stochastic output and a static reanalysis method to generate the input-output data *** the reanalysis,we employ substructuring for a structure to isolate its local regions that vary due to random *** allows for avoiding repeated computations of invariant substructures while generating the input-output data *** substructuring with static condensation further improves the computational efficiency of the reanalysis without losing ***,the GPCE with the static reanalysis method can achieve significant computational saving,thus mitigating the curse of dimensionality to some degree for UQ under high-dimensional *** numerical results obtained from a simple structure indicate that the proposed method for UQ produces accurate solutions more efficiently than the GPCE using full finite element analyses(FEAs).We also demonstrate the efficiency and scalability of the proposed method by executing UQ for a large-scale wing-box structure under ten-dimensional(all-dependent)random inputs.

关键词： forward uncertainty quantification(UQ) generalized polynomial chaos expansion(GPCE) static reanalysis method static condensation substructuring

Inflow and outflow permeability tests in a very soft clay under low stresses

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journal of rock Mechanics and Geotechnical Engineering 2024年第8期16卷 3270-3283页

作者： j.W.s.Vargas F.A.B.Danziger F.r.Lopes T.Lunne Federal University of rio de janeiro Rio de JaneiroBrazil Norwegian Geotechnical Institute OsloNorway

In situ inflow and outflow permeability tests with the BAT probe at sarapuíII soft clay test site are presented.A description of the BAT permeability test is provided,discussing its advantages and shortcomings,especially in the case of very soft clays under low *** pressures were monitored during probe installation and were found to be slightly lower than piezocone u2 pore pressures,consistent with the position of the *** role of filter tip saturation was investigated after the usual saturation procedure provided an unsatisfactory pore pressure response during probe *** show that the vacuum saturation procedure provides adequate response during installation and increases the reliability of the coefficient of permeability determination in early *** inflow and outflow tests yielded similar results,indicating that careful execution of the test can lead to good test repeatability regardless of the loading *** sequences of alternated inflow and outflow tests have yielded similar results,indicating that soil reconsolidation and filter clogging were negligible in the tests *** are presented concerning the relationship between index parameters and the in situ coefficient of permeability for sarapuíII clay,which plot outside the range of existing databases.

关键词： Permeability test soft clay BAT probe Inflow and outflow tests

structural effects induced by dialysis-based purification of carbon nanomaterials

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Nano Materials science 2024年第4期6卷 475-483页

作者： A.D.Veloso A.M.Ferraria A.M.Botelho do rego A.s.Viana A.j.s.Fernandes A.j.Fielding r.A.Videira M.C.Oliveira CQ-Vr and Chemistry Department University of Trás-os-Montes e Alto Douro BsIrG iBB-Institute for Bioengineering and BiosciencesDepartment of Chemical Engineeringand Associate Laboratory i4HB-Institute for Health and BioeconomyInstituto Superior TécnicoUniversidade de Lisboa Centro de Química Estrutural Institute of Molecular SciencesDepartamento de Química e BioquímicaFaculdade de CiênciasUniversidade de Lisboa I3N and Physics Department University of AveiroCampus de Santiago Faculty of science Pharmacy and Biomolecular SchoolLiverpool John Moores University rEQUIMTE/LAQV Laborat orio de FarmacognosiaDepartamento de QuímicaFaculdade de Farm aciaUniversidade do Porto

Dialysis plays a crucial role in the purification of nanomaterials but its impact on the structural properties of carbon nanomaterials was never ***,a carbon-based nanomaterial generated electrochemically in potassium phosphate buffer,was characterized before and after dialysis against pure *** is shown that dialysis affects the size of the carbon domains,structural organization,surface functionalization,oxidation degree of carbon,and grade of ***,dialysis drives the nanomaterial organization from discrete roundish carbon domains,with sizes ranging from 70 to 160 nm,towards linear stacking structures of small nanoparticles （rallel,alcohol and ether （epoxide） surface groups evolve into more oxidized carbon groups （e.g.,ketone and ester groups）.Investigation of the as-prepared nanomaterial by electron paramagnetic resonance （EPr） revealed a resonance signal consistent with carbon-oxygen centred ***,this study brings to light the selective affinity of the carbon nanomaterial under study to capture Na+ions,a property greatly enhanced by the dialysis process,and its high ability to trap oxygen,particularly before *** findings open new perspectives for the application of carbon-based nanomaterials and raise awareness of the importance of structural changes that can occur during the purification of carbon-based nanomaterials.

关键词： Nanocarbon surface functionalization NMr XPs Hydrophilic carbon Paramagnetic

Mathematical modeling and simulations of stress mitigation by coating polycrystalline particles in lithium-ion batteries

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Applied Mathematics and Mechanics(English Edition) 2024年第6期45卷 947-962页

作者： N.IQBAL j.CHOI s.F.sHAH C.LEE s.LEE Department of Mechanical Roboticsand Energy EngineeringDongguk University-SeoulSeoul 04620Republic of Korea

A chemo-mechanical model is developed to investigate the effects on the stress development of the coating of polycrystalline Ni-rich LiNixMnyCo_(z)O_(2)(x≥0.8)(NMC)particles with poly(3,4-ethylenedioxythiophene)(PEDOT).The simulation results show that the coating of primary NMC particles significantly reduces the stress generation by efficiently accommodating the volume change associated with the lithium diffusion,and the coating layer plays roles both as a cushion against the volume change and a channel for the lithium transport,promoting the lithium distribution across the secondary particles more ***,the lower stiffness,higher ionic conductivity,and larger thickness of the coating layer improve the stress *** paper provides a mathematical framework for calculating the chemo-mechanical responses of anisotropic electrode materials and fundamental insights into how the coating of NMC active particles mitigates stress levels.

关键词： lithium-ion battery(LIB) polycrystalline particle coating finite element simulation Ni-rich LiNixMnyCo_(z)O_(2)(x>0.8)(NMC)

Background removal from global auroral images:Data-driven dayglow modeling

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Earth and Planetary Physics 2024年第1期8卷 247-257页

作者： A.Ohma M.Madelaire K.M.Laundal j.P.reistad s.M.Hatch s.Gasparini s.j.Walker Birkeland Centre for space science Department of Physics and TechnologyUniversity of BergenBergenNorway

Global images of auroras obtained by cameras on spacecraft are a key tool for studying the near-Earth ***,the cameras are sensitive not only to auroral emissions produced by precipitating particles,but also to dayglow emissions produced by photoelectrons induced by *** emissions and scattered sunlight can contribute to the background *** fully utilize such images in space science,background contamination must be removed to isolate the auroral *** we outline a data-driven approach to modeling the background intensity in multiple images by formulating linear inverse problems based on B-splines and spherical *** approach is robust,flexible,and iteratively deselects outliers,such as auroral *** final model is smooth across the terminator and accounts for slow temporal variations and large-scale asymmetries in the *** demonstrate the model by using the three far ultraviolet cameras on the Imager for Magnetopause-to-Aurora Global Exploration(IMAGE)*** method can be applied to historical missions and is relevant for upcoming missions,such as the solar wind Magnetosphere Ionosphere Link Explorer(sMILE)mission.

关键词： aurora dayglow modeling global auroral images far ultraviolet images dayglow removal

Complexed amino acid minerals ***-glycinate chelated minerals:Impact on the performance of old laying hens

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Animal Nutrition 2024年第1期16卷 395-408页

作者： Marcos j.B.santos Maria C.M.M.Ludke Leandro M.silva Carlos B.V.rabello Mércia r.Barros Fabiano s.Costa Clariana s.santos jamille s.s.Wanderley Department of Animal science Rural Federal University of PernambucoRecifePEBrazil Department of Veterinary science Rural Federal University of PernambucoRecifePEBrazil

The present study was to evaluate the effect of trace minerals(Zn,Mn,and Cu)from complexed amino acid minerals(ZMCAA)and bis-glycinate chelated minerals(ZMCGly)in laying hen diets on performance,internal and external egg quality,yolk mineral deposition,intestinal morphometry,and bone *** 78 to 98 weeks of age,400 White LsL-Lite strain laying hens were distributed in a randomized design with 4 treatments with 10 replicates per *** were distributed in a 2×2 factorial arrangement using either Zn,Mn,and Cu of ZMCAA or ZMCGly source at 2 levels:low(20,20,and 3.5 mg/kg of Zn,Mn,and Cu,respectively)or high(40,40,and 7 mg/kg of Zn,Mn,and Cu,respectively).The analysis of variance was performed,and in cases where differences were observed,the means were compared using Tukey?s test(Psource and level of trace mineral supplementation had a significant impact on the performance of laying *** fed ZMCAA had higher egg production(P=0.01),egg weight(P=0.02),egg mass(P=0.01),and lower feed conversion ratio(P=0.05)compared to those fed *** ZMCAA supplementation showed higher albumen height(P=0.01),albumen weight(P=0.01),and eggshell thickness(Psition of Zn(Ps greater for hens received *** weight(P=0.04)and bone densitometry(Pre higher with ZMCAA *** the small intestine,ZMCAA resulted in longer villi(P=0.02)and shorter crypt depth(P=0.01)in the *** and ileum measurements were influenced by the level and source of trace minerals(Ps fed ZMCAA exhibited superior performance,egg quality,deposition of trace minerals in the egg yolk,and bone density compared to hens fed *** this study,older laying hens supplemented with ZMCAA at lower levels demonstrated adequate levels of supplementation.

关键词： Bis-glycinates Metal-amino acids radiodensity Trace minerals

Thermo-kinetic characteristics on stabilizing hetero-phase interface of metal matrix composites by crystal plasticity finite element method

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journal of Materials science & Technology 2024年第2期169卷 53-67页

作者： Y.B.Zhang s.j.song F.Liu state Key Laboratory of solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Analytical&Testing Center Northwestern Polytechnical UniversityXi’an 710072China

Using dislocation-based constitutive modeling in three-dimension crystal plasticity finite element(3D CPFE)simulations,co-deformation and instability of hetero-phase interface in different material systems were herein studied for polycrystalline metal matrix composites(MMCs).Local stress and strain fields in two types of 3layer MMCs such as fcc/fcc Cu-Ag and fcc/bcc Cu-Nb have been predicted under simple compressive ***,more severe strain-induced interface instability can be observed in the fcc/bcc systems than in the fcc/fcc systems upon refining to metallic nanolayered composites(MNCs).By detailed analysis of stress and strain localization,it has been demonstrated that the interface instability is always accompanied by high-stress concentration,i.e.,thermodynamic characteristics,or high strain prevention i.e.,kinetic characteristics,at the hetero-phase *** then follows that the thermodynamic driving forceG and the kinetic energy barrier Q during dislocation and shear banding can be adopted to classify the deformation modes,following the so-called thermo-kinetic *** by inserting a high density of high-energy interfaces into the Cu-Nb composites,such thermo-kinetic integration at the hetero-phase interface allows a successful establishment of MMCs with the high△G-high Q deformation mode,which ensures high hardening and uniform strain distri-bution,thus efficiently suppressing the shear band,stabilizing the hetero-phase interface,and obtaining an exceptional combination in strength and *** hetero-phase interface chosen by a couple of thermodynamics and kinetics can be defined as breaking the thermo-kinetic correlation and has been proposed for artificially designing MNCs.

关键词： Thermodynamics and kinetics Physics-based constitutive modeling Hetero-phase interface Crystal plasticity finite element

Construction of 2D/2D Ti_(3)C_(2)T_(x)MXene/Cds heterojunction with photothermal effect for efficient photocatalytic hydrogen production

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journal of Materials science & Technology 2024年第4期171卷 1-9页

作者： T.Y.Huang Z.Yang s.Y.Yang Z.H.Dai Y.j.Liu j.H.Liao G.Y.Zhong Z.j.Xie Y.P.Fang s.s.Zhang Key Laboratory for Biobased Materials and Energy of Ministry of Education Guangdong Laboratory for Lingnan Modern AgricultureCollege of Materials and EnergySouth China Agricultural UniversityGuangzhou 510643China school of Physics and Optoelectronics South China University of TechnologyGuangzhou 510640China school of Chemical Engineering and Energy Technology Guangdong Provincial Key Laboratory of Distributed Energy SystemsDongguan University of TechnologyDongguan 523808China

The insensitivity of semiconductors to visible and infrared light is a key constraint on the utilization of light energy in photocatalytic *** photocatalysts with full-spectrum absorption through surface engineering is an effective approach to fully harnessing light energy in semiconductor ***,a novel stable Ti_(3)C_(2)T_(x)MXene/Cds heterojunction catalyst is obtained by in-situ epitaxial growth of two-dimensional(2D)Cds nanosheets on 2D MXene interface via a solvothermal *** exceptional light absorption properties of MXene confer outstanding full-spectrum driven photocat-alytic hydrogen evolution capability upon the heterogeneous *** unique 2D/2D structure effectively mitigated the recombination of photogenerated carriers,enhancing the photocatalytic performance of the ***,the composite catalyst exhibits a significantly higher surface temperature of 80.4℃under visible light irradiation at an intensity of 0.1 W/cm^(2),which is 1.84 times higher than that of *** irradiation of visible and near infrared light,the composite catalyst with photothermal ef-fect demonstrates a remarkable hydrogen evolution rate of 65.4 mmol g^(-1)h^(-1),which is 7.2 times higher than that of Cds *** study introduces a novel approach for constructing full-spectrum absorption catalysts and expands the application of the photothermal effect in photocatalytic hydrogen evolution research.

关键词： Two-dimensional structure Heterostructure Photothermal effect Photocatalyst Hydrogen evolution