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Challenges and approaches of single-crystal Ni-rich layered cathodes in lithium batteries

National science Review 2023年第12期10卷 203-222页

作者： Jiangtao Hu Hongbin Wang Biwei Xiao Pei Liu Tao Huang Yongliang Li Xiangzhong Ren Qianling Zhang Jianhong Liu Xiaoping Ouyang Xueliang Sun Graphene Composite Research Center College of Chemistry and Environmental EngineeringShenzhen University GRINM(Guangdong) Institute for Advanced Materials and Technology School of Materials Science and Engineering Xiangtan University Department of Mechanical and Materials Engineering University of Western Ontario Eastern Institute for Advanced Study Eastern Institute of Technology

High energy density and high safety are incompatible with each other in a lithium battery, which challenges today's energy storage and power applications. Ni-rich layered transition metal oxides(NMCs) have been identified as the primary cathode candidate for powering next-generation electric vehicles and have been extensively studied in the last two decades, leading to the fast growth of their market share, including both polycrystalline and single-crystal NMC cathodes. Single-crystal NMCs appear to be superior to polycrystalline NMCs, especially at low Ni content(≤60%). However, Ni-rich single-crystal NMC cathodes experience even faster capacity decay than polycrystalline NMC cathodes, rendering them unsuitable for practical application. Accordingly, this work will systematically review the attenuation mechanism of single-crystal NMCs and generate fresh insights into valuable research pathways. This perspective will provide a direction for the development of Ni-rich single-crystal NMC cathodes.

关键词： single-crystal NMC attenuation mechanism modification strategy developing route

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Non‑associated and Non‑quadratic Characteristics in Plastic Anisotropy of Automotive Lightweight Sheet Metals

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Automotive Innovation 2023年第3期6卷 364-378页

作者： Yong Hou Junying Min Myoung‑Gyu Lee Department of Materials Science and Engineering and RIAM Seoul National UniversitySeoul 08826South Korea School of Mechanical Engineering Tongji UniversityShanghai 201804China

Lightweight sheet metals are highly desirable for automotive applications due to their exceptional strength-to-density *** accurate description of the pronounced plastic anisotropy exhibited by these materials in finite element analysis requires advanced plasticity *** recent years,significant efforts have been devoted to developing plasticity models and numeri-cal analysis methods based on the non-associated flow rule(non-AFR).In this work,a newly proposed coupled quadratic and non-quadratic model under non-AFR is utilized to comprehensively investigate the non-associated and non-quadratic characteristics during the yielding of three lightweight sheet metals,i.e.,dual-phase steel DP980,TRIP-assisted steel QP980,and aluminum alloy *** materials are subjected to various proportional loading paths,including uniaxial tensile tests with a 15°increment,uniaxial compressive tests with a 45°increment,in-plane torsion tests,and biaxial tensile tests using laser-deposited arm-strengthened cruciform *** show that the non-AFR approach provides an effective means for accurately modeling the yield behavior,including yield stresses and the direction of plastic strain rates,simultaneously,utilizing two separate functions and a simple calibration *** introduction of the non-quadratic plastic potential reduces the average errors in angle when predicting plastic strain directions by the quadratic plastic potential ***,for DP980,the average error is reduced from 3.1°to 0.9°,for QP980 it is reduced from 6.1°to 3.9°,and for AA5754-O it is reduced from 7.0°to 0.2°.This highlights the importance of considering the non-quadratic characteristic in plasticity modeling,especially for aluminum alloys such as AA5754-O.

关键词： Yield behavior Non-associated flow rule Non-quadratic Lightweight sheet metal

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Finite-temperature screw dislocation core structures and dynamics in α-titanium

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npj Computational materials 2023年第1期9卷 12-24页

作者： Anwen Liu Tongqi Wen Jian Han David J.Srolovitz Department of Materials Science and Engineering City University of Hong KongHong Kong SARChina Department of Mechanical Engineering The University of Hong KongHong Kong SARChina

A multiscale approach based on molecular dynamics(MD)and kinetic Monte Carlo(kMC)methods is developed to simulate the dynamics of an(a)screw dislocation inα-*** free energy barriers for the core dissociation transitions and Peierls barriers for dislocation glide as a function of temperature are extracted from the MD simulations(based on machine learning interatomic potentials and optimization);these form the input to kMC *** random walk trajectories from kMC agree well with those predicted by *** some planes,dislocations move via a locking-unlocking ***,some dislocations glide in directions that are not parallel with the core dissociation *** MD/kMC multiscale method proposed is applicable to dislocation motion in simple and complex materials(not only screw dislocations in Ti)as a function of temperature and stress state.

关键词： dislocation dynamics locking

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Influences of Process Parameters and Addition Elements on the Fabrication of TiC-Ti3SiC2 Composites by Spark Sintering

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materials Transactions 2025年第5期66卷 608-615页

作者： Qu, Jing Matsugi, Kazuhiro Choi, Yongbum Xu, Zhefeng Yu, Jinku Department of Mechanical Materials Engineering Hiroshima University Higashihiroshima739-8527 Japan State Key Laboratory of Metastable Materials Science and Technology Yanshan University Qinhuangdao066004 China

In TiC-Ti3SiC2 composites, the introduction of the TiC hard phase could improve the hardness of the Ti3SiC2 phase and prepare high hardness, high toughness and self-lubricating materials. In this study, elementary Ti, Si and graphite powders in the molar ratio of 3:1+x:2 were used as starting powders, a small amount of Al powder was added as a sintering aid, and spark sintering technology was used to sinter in the temperature range of 1373 to 1673 K at 50 MPa in vacuum. The reacted phases were identified by X-ray diffraction, and microstructure characteristics were observed. The formation mechanism of TiC-Ti3SiC2 composites was investigated based on the sintering behavior of the elemental powders during spark sintering. Pure TiC-Ti3SiC2 composites could be prepared from Ti, Si, graphite powders and Al at a molar ratio of 3:1.1:2:0.3 at 1573 K with a holding time of 0.9 ks. In conclusion, dual phase consist of TiC and Ti3SiC2 composite could be synthesized through in-situ reaction by adjusting process parameters such as sintering temperature, holding time and the content of Si and Al in element blending method. [doi:10.2320/***-MC2024008] ©2025 The Japan Institute of Metals and materials.

关键词： Titanium carbide

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Wake Effects on A Hybrid Semi-Submersible Floating Wind Farm with Multiple Hub Heights

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China Ocean engineering 2023年第1期37卷 101-114页

作者： XU Xiao-sen GU Jia-yang LING Hong-jie YANG Pu-yi WANG Shuai-shuai XING Yi-han Oleg GAIDAI ZHANG Zhong-yu Marine Equipment and Technology Institute Jiangsu University of Science and TechnologyZhenjiang 212100China Department of Mechanical and Civil Engineering Florida Institute of TechnologyMelbourne 32901United States Department of Marine Technology Norwegian University of Science and TechnologyTrondheim 7491Norway Department of Mechanical and Structural Engineering and Materials Science University of StavangerStavanger 4021Norway College of Engineering Science and Technology Shanghai Ocean EngineeringShanghai 201306China

Wind farms generally consist of a single turbine installed with the same hub height. As the scale of turbines increases,wake interference between turbines becomes increasingly significant, especially for floating wind turbines(FWT).Some researchers find that wind farms with multiple hub heights could increase the annual energy production(AEP),while previous studies also indicate that wake meandering could increase fatigue loading. This study investigates the wake interaction within a hybrid floating wind farm with multiple hub heights. In this study, *** is employed to simulate a hybrid wind farm which consists of four semi-submersible FWTs(5MW and 15MW) with two different hub heights. Three typical wind speeds(below-rated, rated, and over-rated) are considered in this paper to investigate the wake meandering effects on the dynamics of two FWTs. Damage equivalent loads(DEL) of the turbine critical components are computed and analyzed for several arrangements determined by the different spacing of the four turbines. The result shows that the dynamic wake meandering significantly affects downstream turbines’ global loadings and load effects. Differences in DEL show that blade-root flapwise bending moments and mooring fairlead tensions are sensitive to the spacing of the turbines.

关键词： hybrid floating wind farm wake meandering multiple hub heights floating wind turbine FAST.Farm fatigue

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Development of Fe-Mn-Si-Cr-Ni shape memory alloy with ultrahigh mechanical properties and large recovery strain by laser powder bed fusion

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Journal of materials science & Technology 2023年第19期150卷 201-216页

作者： Xiao Yang Lijin Cheng Huabei Peng Bingnan Qian Lei Yang Yunsong Shi Annan Chen Zhengyan Zhang Libin Zhao Ning Hu Chunze Yan Yusheng Shi State Key Laboratory of Materials Processing and Die and Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China School of Mechanical Engineering Hebei University of TechnologyTianjin 300401China School of Mechanical Engineering Sichuan UniversityChengdu 610065China Department of Mechanical and Energy Engineering Southern University of Science and TechnologyShenzhen 518055China School of Transportation and Logistics Engineering Wuhan University of TechnologyWuhan 430070China Department of Orthopaedics Union HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430022China

This work systematically studied the effect of volumetric energy density E on the densification,mi-crostructures,tensile mechanical properties,and shape memory performance of a Fe-Mn-Si-Cr-Ni shape memory alloy(SMA)fabricated by laser powder bed fusion(L-PBF).An E of 90-265 J/mm3 is suggested to fabricate the Fe-Mn-Si-Cr-Ni SMA with minor metallurgical defects and a high relative density of above 99%.The increase in E can promote the formation of the primaryγaustenite and the solid phase trans-formation from the primaryδferrite to theγaustenite,which helps to achieve a nearly complete y austenitic *** increase in E also contributes to fabricating the Fe-Mn-Si-Cr-Ni SMA with superior comprehensive mechanical properties and shape memory performance by *** Fe-Mn-Si-Cr-Ni SMA with a combination of good ductility of around 30%,high yield strength of above 480 MPa,an ultrahigh ultimate tensile strength of above 1 GPa,and large recovery strain of about 6%was manu-factured by L-PBF under a high E of 222-250 J/mm^(3).The good shape memory effect,excellent compre-hensive mechanical properties,and low cost of Fe-Mn-Si-Cr-Ni SMAs,as well as the outstanding ability to fabricate complex structures of L-PBF technology,provide a solid foundation for the design and fabri-cation of novel intelligent structures.

关键词： Shape memory alloys Fe-Mn-Si-based alloys Laser powder bed fusion mechanical property Microstructure

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Beyond p-y method:A review of artificial intelligence approaches for predicting lateral capacity of drilled shafts in clayey soils

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Journal of Rock Mechanics and Geotechnical engineering 2024年第9期16卷 3812-3840页

作者： M.E.Al-Atroush A.E.Aboelela Ezz El-Din Hemdan Civil and Environmental Engineering Program Engineering Management DepartmentCollege of EngineeringPrince Sultan UniversityRiyadhSaudi Arabia Department of Structural Engineering Faculty of EngineeringAin Shams UniversityCairoEgypt Structure and Materials Research Lab Prince Sultan UniversityRiyadhSaudi Arabia Computer Science and Engineering Department Faculty of Electronic EngineeringMenoufia UniversityMenoufiaEgypt

In 2023,pivotal advancements in artificial intelligence(AI)have significantly *** that in mind,traditional methodologies,notably the p-y approach,have struggled to accurately model the complex,nonlinear soil-structure interactions of laterally loaded large-diameter drilled *** study undertakes a rigorous evaluation of machine learning(ML)and deep learning(DL)techniques,offering a comprehensive review of their application in addressing this geotechnical challenge.A thorough review and comparative analysis have been carried out to investigate various AI models such as artificial neural networks(ANNs),relevance vector machines(RVMs),and least squares support vector machines(LSSVMs).It was found that despite ML approaches outperforming classic methods in predicting the lateral behavior of piles,their‘black box'nature and reliance only on a data-driven approach made their results showcase statistical robustness rather than clear geotechnical insights,a fact underscored by the mathematical equations derived from these ***,the research identified a gap in the availability of drilled shaft datasets,limiting the extendibility of current findings to large-diameter *** extensive dataset,compiled from a series of lateral loading tests on free-head drilled shaft with varying properties and geometries,was introduced to bridge this *** paper concluded with a direction for future research,proposes the integration of physics-informed neural networks(PINNs),combining data-driven models with fundamental geotechnical principles to improve both the interpretability and predictive accuracy of AI applications in geotechnical engineering,marking a novel contribution to the field.

关键词： Laterally loaded drilled shaft load transfer and failure mechanisms Physics-informed neural networks(PINNs) P-y curves Artificial intelligence(AI) Dataset

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Tailoring BaCe_(0.7)Zr_(0.1)(Dy_(0.1)|Yb_(0.1))_(0.2)O_(3-δ)electrolyte through strategic Cu doping for low temperature proton conducting fuel cells:Envisioned theoretically and experimentally

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Journal of Energy Chemistry 2025年第2期101卷 692-701,I0015页

作者： Zaheer Ud Din Babar Muhammad Bilal Hanif Yan'an Li Wan-Ting Wang Hanchen Tian Cheng-Xin Li State Key Laboratory for Mechanical Behavior of Materials School of Materials Science and EngineeringXi'an Jiaotong UniversityXi'an 710049ShaanxiChina Department of Inorganic Chemistry Faculty of Natural SciencesComenius University Bratislava84215 BratislavaSlovakia

This study addresses the challenge of high sintering temperatures in proton-conducting fuel cells(PCFCs)with BaCeO_(3)-doped *** demonstrate that 1 mol%copper(Cu)doping at the B-site of BaCe_(0.7)Zr_(0.1)(Dy_(0.1)|Yb_(0.1))_(0.2)O_(3-δ)(BCZDYb)improves sintering behavior,enabling densification at1400℃.However,Cu doping disrupts stoichiometry,creating barium vacancies and reducing protonaccepting cations,affecting overall *** mechanism is confirmed through density functional theory(DFT)calculations and various experimental techniques,including crystal structure analysis using X-ray diffraction(XRD)and morphology and elemental analysis via field emission scanning electron microscopy(FESEM)and energy-dispersive X-ray spectroscopy(EDS).Electrochemical measurements are performed using the electrochemical impedance spectroscopy(EIS).The ionic conductivity of1 mol%Cu-doped BCZDYb(BCZDYb-1)is 1.49×10^(-2)S cm^(-1)at 650℃,which is~3.58 times higher than that of BCZDYb sintered at 1200℃.The BCZDYb-1 exhibits~16 times higher grain boundary conductivity when sintered at 1400℃,compared to undoped *** single cell employing BCZDYb-1 as the electrolyte achieved a power density of~606 mW cm^(-2)at 550℃.These results indicate that a controlled amount of Cu doping can enhance densification while maintaining high ionic co nductivity,making it suitable for practical applications in PCFCs operating at lower temperatures.

关键词： Proton conducting fuel cells(PCFCs) Sintering Densification Cu-doping Electrical conductivity BaCe_(0.7)Z_(0.1)(Dy_(0.1)/Yb_(0.1))_(0.2)O_(3-δ)(BCZDYb)

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Excitations in layered materials from a non-empirical Wannier-localized optimally-tuned screened rangeseparated hybrid functional

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npj Computational materials 2024年第1期10卷 132-140页

作者： María Camarasa-Gómez Stephen E.Gant Guy Ohad Jeffrey B.Neaton Ashwin Ramasubramaniam Leeor Kronik Department of Molecular Chemistry and Materials Science Weizmann Institute of ScienceRehovoth7610001Israel Department of Physics University of CaliforniaBerkeleyCA94720USA Materials Sciences Division Lawrence Berkeley National LaboratoryBerkeleyCA94720USA Kavli Energy NanoSciences Institute at Berkeley University of CaliforniaBerkeleyCA94720USA Department of Mechanical and Industrial Engineering University of Massachusetts AmherstAmherstMA01003USA Materials Science and Engineering Graduate Program University of MassachusettsAmherstAmherstMA01003USA

Accurate prediction of electronic and optical excitations in van der Waals(vdW)materials is a long-standing challenge for density functional *** recent Wannier-localized optimally-tuned screened range-separated hybrid(WOT-SRSH)functional has proven successful in non-empirical determination of electronic band gaps and optical absorption spectra for covalent and ionic ***,for vdW materials the tuning of the material-and structure-dependent functional parameters has only been attained ***,we present a non-empirical WOT-SRSH approach applicable to vdW materials,with the optimal functional parameters transferable between monolayer and *** apply this methodology to prototypical vdW materials:black phosphorus,molybdenum disulfide,and hexagonal boron nitride(in the latter case including zero-point renormalization).We show that the WOT-SRSH approach consistently achieves accuracy levels comparable to experiments and many-body perturbation theory(MBPT)calculations for band structures and optical absorption spectra,both on its own and as an optimal starting point for MBPT calculations.

关键词： theory optimal functional

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Green supercapacitor patterned by synthesizing MnO/laser-induced-graphene hetero-nanostructures on wood via femtosecond laser pulses

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Biochar 2024年第1期6卷 641-654页

作者： Young-Ryeul Kim Han Ku Nam Younggeun Lee Dongwook Yang Truong-Son Dinh Le Seung-Woo Kim Sangbaek Park Young-Jin Kim Department of Mechanical Engineering Korea Advanced Institute of Science and Technology(KAIST)Science TownDaejeon 34141South Korea. Department of Materials Science and Engineering Chungnam National University(CNU)99 Daehak-roYuseong-guDaejeon 34134South Korea.

Eco-friendly next-generation energy storage devices with high energy density are required to meet the increasing demand for sustainable and green ***,their manufacturing requires a lot of chemical precursors and is usually accompanied by chemical waste;it also involves laborious and time-consuming processes such as mixing,heat treating,casting,and ***,we proposed that mass production of microsupercapacitors(MSCs)for green electronics can be achieved by embedding manganese monoxide(MnO)on wood-derived laser-induced-graphene(LIG)via femtosecond laser direct writing(FsLDW)*** direct synthesis of MnO/LIG hetero-nanostructures on wood was realized by drop-casting a small amount of precursor between the first and second *** preceding FsLDW thermochemically converted wood into LIG while the following FsLDW converted the precursor into MnO,resulting in MnO/LIG ***-fabricated MnO/LIG MSC exhibited enhanced areal capacitance(35.54 mF cm^(−2)at 10 mV s^(−1))and capacitance retention(approximately 82.31%after 10,000 cycles)with only a small inclusion of Mn sources(0.66 mg cm^(−2))and short production time(10 min cm^(−2)),which attributes to operate light-emitting diodes,digital clocks,and electronic paper as *** approach enables the green,facile,fast,and cost-effective fabrication of future sustainable energy storage devices from biomass for next-generation green electronics.

关键词： Laser-induced graphene Green energy storage Microsupercapacitors Laser direct writing Ultrafast pulse Biomass

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