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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)

Wettability,reactivity,and interface structure in Mg/ni system

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journal of Magnesium and Alloys 2024年第2期12卷 659-672页

作者： s.Terlicka n.sobczak Ł.Maj P.Darłak j.j.sobczak Institute of Metallurgy and Materials science Polish Academy of Sciences25 Reymonta Str.KrakowPoland Faculty of Foundry Engineering AGH University23 Reymonta Str.KrakowPoland

The sessile drop method was applied to the experimental investigation of the wetting and spreading behaviors of liquid Mg drops on pure ni *** comparison,the experiments were performed in two variants:(1)using the Capillary Purification(CP)procedure,which allows the non-contact heating and squeezing of a pure oxide-free Mg drop;(2)by classical Contact Heating(CH)*** high-temperature tests were performed under isothermal conditions(CP:760℃for 30 s;CH:715℃for 300 s)using Ar+5 wt%H_(2) *** the sessile drop tests,images of the Mg/ni couples were recorded by CCD cameras(57 fps),which were then applied to calculate the contact angles of metal/substrate *** and transmission electron microscopy analyses,both coupled with energy-dispersive X-ray spectroscopy,were used for detailed structural characterization of the solidified *** was found that an oxide-free Mg drop obtained by the CP procedure showed a wetting phenomenon on the ni substrate(an average contact angleθns),followed by fast spreading and good wetting over the ni substrate(θ_((CP))~20°in 5 s)to form a final contact angle ofθ_(f(CP))~18°.In contrast,a different wetting behavior was observed for the CH procedure,where the unavoidable primary oxide film on the Mg surface blocked the spreading of liquid Mg showing apparently non-wetting behavior after 300 s contact at the test ***,in both cases,the deep craters formed in the ni substrates under the Mg drops and significant change in the structure of initially pure Mg drops to Mg-ni alloys suggest a strong dissolution of ni in liquid Mg and apparent values of the final contact angles measured for the Mg/ni system.

关键词： Magnesium-based alloys sessile drop tests Capillary purification procedure Wettability Reactivity Contact angle

A hydrodynamic modelling of wave-activated bodies for wavelet marine regions

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Clean Energy 2024年第2期8卷 35-47页

作者： j.s.Peh Mohammed W.Muhieldeen n.H.shuaib Mechanical Engineering Department Faculty of EngineeringTechnology&Built EnvironmentUCSI UniversityKuala Lumpur56000Malaysia MTC Engineer sdn.Bhd Shah AlamSelangorMalaysia

Recently,most wave energy research has targeted sea areas with high power density under extreme wave conditions for *** trend often leads to higher energy costs for wave power ***,many marine areas with low power density,characterized by wavelet conditions and less destructive forces than extreme wave conditions,remain ***,this study aimed to propose a wave-activated body model for sea regions with wavelet *** wave-activated body design process encompassed site selection,parameter determination,geometry design,comparison and performance evaluation using the AnsYs®AQWA *** results indicated that the proposed device achieved the desired heave motion,with an amplitude range of 1.2 to-2.5 m,validating its potential for deployment in marine regions with wavelet ***,while the proposed design is optimized for wavelet conditions,it was found to have potential limitations in extreme wave *** observation emphasizes the challenge of formulating a generalized design suitable for both ***,it is pivotal for wave-activated body designs to be customized based on the specific ocean conditions they target,underscoring the need for specialized designs of wave energy converters that consider the unique wave characteristics of their deployment sites.

关键词： wave energy converter south China sea renewable and sustainable energy wavelet AnsYs AQWA hydrodynamic wave-activated bodies

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

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

The dark side of cyclooctatetraene(COT):Photophysics in the singlet states of“self-healing”dyes

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Chinese Chemical Letters 2024年第8期35卷 225-228页

作者： supphachok Chanmungkalakul syed Ali abbas Abedi Federico j.Hernández jianwei Xu Xiaogang Liu Fluorescence Research Group Singapore University of Technology and DesignSingapore 487372Singapore Department of Chemistry University College LondonLondon WC1H 0AJUnited Kingdom Institute of sustainability for Chemicals Energy and Environment(ISCE2)Agency for ScienceTechnology and Research(A^(∗)STAR)Jurong Island 627833Singapore

Cyclooctatetraene(COT)attachment to fluorophores(“self-healing”dyes)is known for quenching reac-tive triplet states via triplet-state energy transfer(TET),enhancing ***,COT’s impact on singlet states remains *** calculations reveal that COT induces energy transfer to dark states in deep blue dyes while promoting photoinduced electron transfer(PET)and intersystem crossing(IsC)in visible dyes,potentially compromising brightness and/or *** address this,we pro-pose the use of △E descriptor to optimize COT’s *** findings uncover COT’s multifaceted *** insights will guide the development of superior triplet state quenchers and photostable dyes.

关键词： Cyclooctatetraene Photostability Triplet state quencher Energy transfer Electron transfer

Mathematical modelling of ball and plate system with experimental and correlation function-based model validation

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Control Theory and Technology 2024年第2期22卷 326-341页

作者： T.R.Dil Kumar s.j.Mija Department of Electrical Engineering National Institute of Technology CalicutKozhikode673601KeralaIndia

The ball and plate system is an inherently nonlinear under actuated benchmark system used for validating the performance of various control schemes. A mathematical model depicting the dynamics close to that of the system is very much required for such a test bed. In this correspondence, the complete nonlinear model, a simplified nonlinear model, and a linearized model of the ball and plate system are developed. The system comprises a ball and plate mechanism and a rotary servo unit. The ball and plate mechanism is modelled using the Euler–Lagrange method, whereas the rotary servo subsystem is modelled from the first principles. The nonlinear model of the combined system is developed by including the dynamics of the servo motor with gear and rolling resistance between the ball and the plate. The simplified nonlinear model of the system is obtained with suitable assumptions. The model is linearized around the operating point using the jacobian. The validity of the developed models is investigated through correlation function analysis. The open-loop response of the three models, viz., nonlinear, simplified nonlinear, and linearized models, is analyzed in the MATLAB/simulink platform. since the open-loop system is unstable, the experimental validation of the model is performed with a double-loop PsO (particle swarm optimization) PID control scheme.

关键词： Ball and plate system Correlation function Model validation Particle swarm optimization(PsO) PsO PID controller

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