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Theoretical regulating the M-site composition of Janus MXenes enables the tailoring design for highly active bifunctional ORR/OER catalysts

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Journal of materials science & Technology 2024年第32期199卷 145-155页

作者： Shuang Luo Ninggui Ma Jun Zhao Yuhang Wang Yaqin Zhang Yu Xiong Jun Fan Department of Materials Science and Engineering City University of Hong KongHong Kong 999077China Department of Mechanical Engineering City University of Hong KongHong Kong 999077China Center for Advanced Nuclear Safety and Sustainable Development City University of Hong Kong 999077Hong KongChina

Rechargeable metal-air batteries generally require efficient,durable,and safe bifunctional electrocatalysts to simultaneously support oxygen reduction/evolution reactions(ORR/OER).Herein,we employed first-principles calculations to explore the structure-activity relationship between the composition control of metal atoms and the catalytic activity of Pt-doped Ti_(2-x) Mn_(x) CO_(2) single-atom catalysts(SACs).The research found a clear linear relationship between the proportion of Mn and bifunctional performance,which can effectively modulate catalytic ***,it shows excellent bifunctional catalytic activity at medium concentrations,among which the catalyst of Pt-V_(O)-Ti_(0.89) Mn_(1.11) CO_(2) displays the lowest overpo-tential(η^(ORR/OER)=0.26/0.28 V).Attributed to the modulation of the average magnetism of Mn and the d-band center of Pt by different com ponents,the bonding strength of the active center of Pt to adsorption intermediates is changed,resulting in the enhancement of the catalyst ***,the molecular orbital-level bonding between the active site Pt and the adsorbed intermediate OH is clarified,shedding light on the involvement of the partially occupied antibonding state of Pt’s d orbital in the activation *** research extensively explores the control of catalyst activity through composition,offering strong support for designing and optimizing highly active Janus MXene-supported SACs.

关键词： DFT Janus-MXene-based SACs Composition regulation Structure-activity

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Multi-scale inhomogeneity and anomalous mechanical response of nanoscale metallic glass pillar by cryogenic thermal cycling

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Rare Metals 2024年第12期43卷 6771-6780页

作者： Xiao Liu Si-Yi Di Jing Zhou Fang Miao Hong-Ze Wang Yi Wu Hao-Wei Wang Hai-Bo Ke Qiang Li Xinjiang Key Laboratory of Solid State Physics and Devices Urumqi830046China School of Physics Science and Technology Xinjiang UniversityUrumqi830046China Songshan Lake Materials Laboratory Dongguan523808China School of Materials Science and Engineering Shanghai Jiao Tong UniversityShanghai200240China Department of Mechanical Engineering City University of Hong KongHong Kong999077China College of Materials Science and Engineering North University of ChinaTaiyuan030051China

The mechanical responses and structure variations of Ta_(80)Co_(20)nanoscale metallic glass(MG)film samples upon cryogenic thermal cycling(CTC)treatment were *** simultaneous improvements of strength and deformation ability bring about a super-high strength of 4.5 GPa and a large plastic strain of about 80%after CTC *** significant increase in inter-element bonding and hardness makes the activation and percolation of sheartransformation zones to be more difficult and delays theyielding event,leading to the ultra-high strength.

关键词： cycling cryogenic deformation

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Magnetic properties of diluted hexaferrites

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Physical Review B 2024年第1期110卷 014432-014432页

作者： Logan Sowadski Sean Anderson Cameron Lerch Julia Medvedeva Thomas Vojta Department of Physics Department of Mechanical Engineering and Materials Science

We revisit the magnetic properties of the hexagonal ferrite PbFe12−xGaxO19. Recent experiments have reported puzzling dependences of the ordering temperature and the saturation magnetization on the Ga concentration x. To explain these observations, we perform large-scale Monte Carlo simulations, focusing on the effects of an unequal distribution of the Ga impurities over the five distinct Fe sublattices. Ab initio density-functional calculations predict that the Ga ions preferably occupy the 12k sublattice and (to a lesser extent) the 2a sublattice. We incorporate this insight into a nonuniform model of the Ga distribution. Monte Carlo simulations using this model lead to an excellent agreement between the theoretical and experimental values of the ordering temperature and saturation magnetization, indicating that the unequal distribution of the Ga impurities is the main reason for the unusual magnetic properties of PbFe12−xGaxO19. We also compute the temperature and concentration dependences of the sublattice magnetizations, and we study the character of the zero-temperature transition that takes place when the ordering temperature is tuned to zero.

关键词： Magnetic order Magnetic phase transitions Percolation Ferrimagnets Monte Carlo methods

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Effect of whisker alignment on microstructure,mechanical and thermal properties of Mg-SiC_(w)/Cu composite fabricated by a combination of casting and severe plastic deformation(SPD)

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Journal of Magnesium and Alloys 2023年第3期11卷 966-980页

作者： Yinwei Wang Moslem Tayyebi Morteza Tayebi Mahdireza Yarigarravesh Shoufa Liu Hongwei Zhang School of Mechanical Engineering Xijing UniversityXi’anShaanxi 710123China Department of Materials Science and Engineering Shiraz University of TechnologyShirazIran Young Researchers and Elites Club Science and Research BranchIslamic Azad UniversityTehranIran Department of Civil Engineering Adjunct facultySharif University of TechnologyTehranIran

In this research,microstructure evaluation,mechanical properties and thermal conductivity of the Mg-SiC_(w)/Cu composite with laminar structure were *** this purpose,SiC whiskers were added to magnesium alloy by using stir-casting,then the Mg-SiC_(w)composite was bonded to copper layers by warm accumulative roll bonding(ARB).Based on the results of optical microscopy(OM)and scanning electron microscopy(SEM),SiC whiskers were well distributed in the magnesium matrix and they were aligned parallelly when the composites were plastically deformed at higher rolling ***,all layers remained continuous with localized necking ***,no intermetallic compounds and phases were detected by XRD and EDS *** from the significant effect of severe plastic deformation on mechanical properties,the findings of mechanical tests point to the usefulness of reinforcements in improving up to 60%microhardness,Young’s modulus,yield,and up to 41%tensile ***,thermal conductivities of composites increased by adding reinforcement and above all by increasing the number of rolling *** growth is attributed to the higher thermal diffusivity of copper and whiskers as well as the increased number of conductive layers within composite.

关键词： SiC whisker Warm accumulative roll bonding Stir-casting Thermal conductivity

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Historical, Contemporary, and Future Perspectives on Fuel Qualification

Historical, Contemporary, and Future Perspectives on Fuel Qu...

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2024 Annual Conference on Transactions of the American Nuclear Society, ANS 2024

作者： Mika, Mitch Aitkaliyeva, Assel University of Florida Department of Materials Science Nuclear Engineering Program GainesvilleFL United States

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π-Extended giant dimeric acceptor as a third component enables highly efficient ternary organic solar cells with efficiency over 19.2%

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Journal of Energy Chemistry 2024年第8期95卷 263-270,I0006页

作者： Mengran Peng Haotian Wu Liming Wu Jianhua Chen Ruijie Ma Qunping Fan Hua Tan Weiguo Zhu Hongxiang Li Junqiao Ding School of Chemical Science and Technology Yunnan UniversityKunming 650500YunnanChina Department of Electrical and Electronic Engineering Research Institute for Smart Energy(RISE)Guangdong-Hong Kong-Macao(GHM)Joint Laboratory for Photonic-Thermal-Electrical Energy Materials and DevicesThe Hong Kong Polytechnic UniversityKowloonHong Kong 999077China State Key Laboratory for Mechanical Behavior of Materials Xi’an Jiaotong UniversityXi’an 710049ShaanxiChina School of Materials Science and Engineering Jiangsu Engineering Laboratory of Light-Electricity-Heat Energy-Converting Materials and ApplicationsChangzhou UniversityChangzhou 213164JiangsuChina College of Polymer Science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu 610065SichuanChina

Ternary strategy with a suitable third component is a successful strategy to improve the photovoltaic performance of organic solar cells(OSCs).Very recently,Y-series based giant molecule acceptors or oligomerized acceptors have emerged as promising materials for achieving highly efficient and stable binary OSCs,while application as third component for ternary OSCs is *** a novelπ-extended giant dimeric acceptor,GDF,is developed based on central Y series core fusion and rigid BDT as linker,and then incorporated into the state-of-the-art PM1:PC6 system to construct ternary *** GDF has a near planar backbone,resulting in increasedπ-conjugation,excellent crystallinity,and good electron transport *** GDF is introduced into the PM1:PC6 system,it ensues in a cascade like the lowest unoccupied molecular orbitals(LUMO)energy level alignment,a complementary absorption band with PM1 and PC6,higher and balanced hole and electron mobility,slightly smaller domain size,and a higher exciton dissociation probability for PM1:PC6:GDF(1:1.1:0.1)blend *** a consequence,the PM1:PC6:GDF(1:1.1:0.1)ternary OSC achieves a champion PCE of 19.22%,with a significantly higher open-circuit voltage and short-circuit current density,compared to 18.45%for the PM1:PC6(1:1.2)binary *** findings show that employing aπ-extended giant dimeric acceptor as a third component significantly improves the photovoltaic performance of ternary OSCs.

关键词： Giant dimeric acceptor Third component Ternary organic solar cells

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Tribological performance under different environments of Ti-C-N composite films for marine wear-resistant parts

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International Journal of Minerals,Metallurgy and materials 2023年第1期30卷 144-155页

作者： Hongbo Ju Rui Zhou Jing Luan Ch Sateesh Kumar Lihua Yu Junhua Xu Junfeng Yang Bowei Zhang Filipe Fernandes School of Materials Science and Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China CEMMPRE—Centre for Mechanical Engineering Materials and Processes Department of Mechanical EngineeringUniversity of CoimbraCoimbra 3030-788Portugal CFAA University of the Basque Country UPV/EHUBilbao 48170Spain ISEP-School of Engineering Polytechnic of PortoPorto 4200-072Portugal Key Laboratory of Materials Physic Institute of Solid State PhysicsHefei Institute of Physical SciencesChinese Academy of SciencesHefei 230031China Institute for Advanced Materials and Technology University of Science and Technology BeijingBeijing 100083China

The need for reducing the wear in mechanical parts used in the industry makes self-lubricant films one of the sustainable solutions to achieve long-term protection under different environmental *** purpose of this work is to study the influence of C additions on the tribological behavior of a magnetron-sputtered TiN film in air,water,and *** results show that the addition of C into the TiN binary film induced a new amorphous phase,and the films exhibited a dual phase of fcc(face-centered cubic)-TiN and amorphous *** antifriction and wear-resistance properties were enhanced in air and water by adding 19.1at%***,a further increase in the C concentration improved anti-frictional properties but also led to higher wear *** the amorphous phase induced microbatteries and accelerated the corrosion of TiN phases in seawater,the negative abrasion state was detected for all Ti-C-N films due to the adhesion of the tribocorrosion debris on the wear track.

关键词： RF reactive magnetron sputtering Ti-C-N films microstructure tribological properties in air/water/seawater

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Electrical, mechanical and damage self-sensing properties of basalt fiber reinforced polymer composites modified by electrophoretic deposition

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Progress in Natural science:materials International 2023年第5期33卷 593-600页

作者： Haoming Sun Dong Xiang Jie Zhang Wei Tan Eileen Harkin-Jones Junjie Wang Menghan Wang Bin Wang Chunxia Zhao Hui Li Zhenyu Li Yuntao Li Yuanpeng Wu School of New Energy and Materials Southwest Petroleum University The Center of Functional Materials for Working Fluids of Oil and Gas Field Sichuan Engineering Technology Research Center of Basalt Fiber Composites Development and Application Southwest Petroleum University Collaborative Scientific Innovation Platform of Universities in Sichuan for Basalt Fiber Southwest Petroleum University School of Mechanical Engineering Southwest Petroleum University School of Engineering and Materials Science Queen Mary University of London School of Engineering Ulster University Department of Civil Engineering Tsinghua University College of Materials Science and Engineering Chongqing University

In this work, basalt fiber reinforced polymer(BFRP) with enhanced electrical, mechanical properties and in-situ damage self-sensing capability was prepared using carboxylic carbon nanotubes(COOH-CNTs) modified BF fabrics via electrophoretic deposition(EPD) at different voltages. The BFRP with BF fabrics modified at a deposition voltage of 20 V(EPD20-BFRP) showed the lowest electrical resistivity. Compared with unmodified BFRP, the tensile and flexual moduli of EPD20-BFRP increased by 37.5 % and 14.9 %, respectively. Single-layer EPD20-BFRP exhibited a high gauge factor(GF) of 44.3 during tensile damage self-sensing. The acoustic emission(AE) signals during tensile and flexual damage process agreed well with the relative resistance changes(RRC),which confirmed different damage stages within loading process, such as elastic deformation, damage evolution,crack coalescence, and complete fracture. In addition, the multi-layer BFRP containing a single-layer EPD20-BFRP on the upper or lower surface of laminate exhibited distinct electrical signal responses subjected to the flexural loading.

关键词： Carbon nanotubes and nanofibers Natural fibers Polymer-matrix composites (PMCs) Non-destructive testing

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3D/4D additive-subtractive manufacturing of heterogeneous ceramics

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Journal of materials science & Technology 2024年第34期201卷 210-221页

作者： Guo Liu Xinya Lu Xiaofeng Zhang Yan Zhao Shenghui Yi Jingjun Xu Yuqi Zhan Jianan Yin Chengcheng Feng Zhifeng Zhou Peiyu Wang Zhou Chen Yunhu He Siyao Chen Pengchao Liu Jun Zuo Yu Dai Jian Wu Sida Liu Jian Lu Centre for Advanced Structural Materials City University of Hong Kong Shenzhen Research InstituteGreater Bay Joint DivisionShenyang National Laboratory for Materials ScienceShenzhen 518057China CityU-Shenzhen Futian Research Institute Shenzhen 518045China Hong Kong Branch of National Precious Metals Material Engineering Research Center City University of Hong KongHong Kong 999077China Department of Mechanical Engineering City University of Hong KongHong Kong 999077China Department of Materials Science and Engineering City University of Hong KongHong Kong 999077China National Engineering Laboratory for Modern Materials Surface Engineering Technology&The Key Lab of Guangdong for Modern Surface Engineering Technology Institute of New MaterialsGuangdong Academy of ScienceGuangzhou 510650China State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body College of Mechanical and Vehicle EngineeringHunan UniversityChangsha 410082China Faculty of Materials Science Shenzhen MSU-BIT UniversityShenzhen 518100China Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Physics and Materials Nanchang UniversityNanchang 330031China

The manufacturing of heterogeneous high-temperature material components is challenging for use in practical ***-dimensional(3D)printing provides solutions to programmable constructing ceramic ***,the development of heterogeneous ceramics is limited by low flexibil-ity of heterogeneity,geometrical complexity,structural resolution,manufacturing efficiency,and mate-rial *** this study,we demonstrated flexible and rapid approaches for fabricating complicated and precise heterogeneous ceramics by shape-changing(4D)or shape-keeping(3D)additive-subtractive manufacturing(ASM)*** shape-changing strategy for heterogeneous ceramics was achieved by global ceramization of heterogeneous precursors,while the shape-keeping strategy for heterogeneous ceramics was achieved by local receramization of homogeneous *** element analysis(FEA)simulations of the influence of the thermal shrinkage dominant in the shape-changing strategy on the shape deformation of heterogeneous ceramics could be valuable predictions of the experimental *** 3D/4D ASM methods are generic for high-temperature materials and extendable to metallic and dia-mond materials.

关键词： 3D/4D printing Additive-subtractive manufacturing Heterogeneous ceramics Elastomer-derived ceramics Local receramization

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Precision Enhancement in Tough Polylactic Acid Material Extrusion: A Systematic Response Surface Investigation for Sustainable Manufacturing

SAE International journal of Sustainable Transportation, Ene...

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SAE International journal of Sustainable Transportation, Energy, Environment, and Policy 2024年第3期5卷

作者： Moradi, Mahmoud Rezayat, Mohammad Meiabadi, Saleh Rasoul, Fakhir A. Shamsborhan, Mahmoud Casalino, Giuseppe Karamimoghadam, Mojtaba University of Northampton United Kingdom Department of Materials Science and Engineering Spain Politècnica de Catalunya-BarcelonaTECH Barcelona Research Center in Multiscale Science and Engineering Spain École de Technologie Supérieure Department of Mechanical Engineering Canada Al-Kitab University Department of Air-Conditioning and Refrigeration Technical Engineering College of Technical Engineering Iraq Islamic Azad University Mechanical Engineering Department Iran Polytechnic University of Bari Department of Mechanics Mathematics and Management Italy

This research systematically explores the significant impact of geometrical dimensions within fused deposition modeling (FDM), with a focus on the influence of raster angle and interior fill percentage. Through meticulous experimentation and the application of response surface modeling (RSM), the influence on critical parameters such as weight, length, width at ends, width at neck, thickness, maximum load, and elongation at tensile strength is thoroughly analyzed. The study, supported by ANOVA, highlights the notable effects of raster angle and interior fill percentage, particularly on width at ends, width at neck, and thickness. During the optimization phase, specific parameters - precisely, a raster angle of 31.68 and an interior fill percentage of 27.15 - are identified, resulting in an exceptional desirability score of 0.504. These insights, substantiated by robust statistical data, fill a critical gap in the understanding of 3D-printed parts, offering practical recommendations for superior mechanical performance across diverse applications. © 2024 SAE International.

关键词： Tensile strength

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