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Comparative analysis of frictional behavior and mechanism of molybdenum ditelluride with different structures

Friction 2024年第1期12卷 110-119页

作者： Lina ZHANG Xinfeng TAN Jianguo JIAO Dan GUO Jianbin LUO state key Laboratory of Tribology in Advanced Equipment Tsinghua UniversityBeijing 100084China

Two-dimensional(2D)transition metal dichalcogenides(TMDCs)have layered structures with excellent tribological *** the energy difference between hexagonal-molybdenum ditelluride(2H-MoTe_(2))and distorted octahedral-molybdenum ditelluride(1T′-MoTe_(2))is very small among the transition metal dichalcogenides(TMDCs),MoTe_(2) becomes one of the most promising candidates for phase *** our experiment,we found that the friction force and friction coefficient(COF)of 2H-MoTe_(2) were an order of magnitude smaller than those of 1T′-MoTe_(2) by the atomic force microscope(AFM)*** friction difference between 1T′-MoTe_(2) and 2H-MoTe_(2) was further verified in molecular dynamics(MD)*** density functional theory(DFT)calculations suggest that the friction contrast is related to the difference in sliding energy barrier of the potential energy surface(PES)for a tip sliding across the *** PES obtained from the DFT calculation indicates that the maximum energy barrier and the minimum energy path(MEP)energy barrier of 2H-MoTe_(2) are both smaller than those of 1T′-MoTe_(2),which means that less energy needs to be dissipated during the sliding *** difference in energy barrier of the PES could be ascribed to its larger interlayer spacing and weaker Mo–Te interatomic interactions within the layers of 2H-MoTe_(2) than those of 1T′-MoTe_(2).The obvious friction difference between 1T′-MoTe_(2) and 2H-MoTe_(2) not only provides a new non-destructive means to detect the phase transition by the AFM,but also provides a possibility to tune friction by controlling the phase transition,which has the potential to be applied in extreme environments such as space lubrication.

关键词： friction two-dimensional(2D)materials distorted octahedral-molybdenum ditelluride(1T′-MoTe_(2)) hexagonal-molybdenum ditelluride(2H-MoTe_(2)) phase transition

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Rapid and controllable in-situ self-assembly of main-group metal nanofilms for highly efficient CO_(2)electroreduction to liquid fuel in flow cells

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Nano Research 2024年第6期17卷 5718-5725页

作者： Miao Wang Huaizhu Wang Yaoda Wang Junchuan Liang Mengfei Zhu Jiarui Li Zuoxiu Tie Zhong Jin state key Laboratory of Coordination Chemistry MOE Key Laboratory of Mesoscopic ChemistryMOE Key Laboratory of High Performance Polymer Materials and TechnologyJiangsu Key Laboratory of Advanced Organic MaterialsTianchang New Materials and Energy Technology Researc

The electrocatalytic reduction of CO_(2)is a promising pathway to generate renewable fuels and ***,its advancement is impeded by the absence of electrocatalysts with both high selectivity and ***,we present a scalable in-situ thermal evaporation technique for synthesizing series of Bi,In,and Sn nanofilms on carbon felt(CF)substrates with a high-aspect-ratio *** resulting main-group metal nanofilms exhibit a homogeneously distributed and highly exposed catalyst surface with ample active sites,thereby promoting mass transport and ad-/desorption of reaction *** from the unique fractal morphology,the Bi nanofilms deposited on CF exhibit optimal catalytic activities for CO_(2)electroreduction among the designed metal nanofilms electrodes,with the highest Faradaic efficiency of 96.9%for formate production at−1.3 V *** hydrogen electrode(RHE)in *** an industrially relevant current density of 221.4 mA·cm−2 in flow cells,the Bi nanofilms retain a high Faradaic efficiency of 81.7%at−1.1 V(***)and a good long-term stability for formate ***,a techno-economic analysis(TEA)model shows the potential commercial viability of electrocatalytic CO_(2)conversion into formate using the Bi nanofilms *** results offer a green and convenient approach for in-situ fabrication of stable and inexpensive thin-film catalysts with a fractal structure applicable to various industrial settings.

关键词： CO_(2)electroreduction non-noble metal nanofilms flow cells efficiency and selectivity techno-economic analysis

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Challenges and perspectives of air pollution control in China

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Frontiers of Environmental Science & Engineering 2024年第6期18卷 9-16页

作者： Bin Zhao Shuxiao Wang Jiming Hao state key Joint Laboratory of Environmental Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing 100084China state Environmental Protection key Laboratory of Sources and Control of Air Pollution Complex Beijing 100084China

Air pollution is one of the most challenging environmental issues in the *** has achieved remarkable success in improving air quality in last decade as a result of aggressive air pollution control ***,the average fine particulate matter(PM2.5)concentration in China is still about six times of the World Health Organization(WHO)Global Air Quality Guidelines(AQG)and causing significant human health *** emission reductions of multiple air pollutants are required for China to achieve the *** we identify the major challenges in future air quality improvement and propose corresponding control *** main challenges include the persistently high health risk attributed to PM2.5 pollution,the excessively loose air quality standards,and coordinated control of air pollution,greenhouse gases(GHGs)emissions and emerging *** further improve air quality and protect human health,a health-oriented air pollution control strategy shall be implemented by tightening the air quality standards as well as optimizing emission reduction pathways based on the health risks of various *** the meantime,an“oneatmosphere”concept shall be adopted to strengthen the synergistic control of air pollutants and GHGs and the control of non-combustion sources and emerging pollutants shall be enhanced.

关键词： Air pollution China Health impact Air quality standards GHGs Emerging pollutants

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Spatial light modulation for femtosecond laser manufacturing:Current developments and challenges

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Science China(Technological Sciences) 2024年第1期67卷 60-72页

作者： ZANG Xue LIU ZiTing XU YiShi WANG Yi WANG Qing LI ZhenZe WANG Lei state key Laboratory of Integrated Optoelectronics College of Electronic Science and EngineeringJilin UniversityChangchun 130012China state key Laboratory of Precision Measurement and Instruments Department of Precision InstrumentTsinghua UniversityBeijing 100084China

Since the invention of lasers,spatial-light-modulated laser processing has become a powerful tool for various *** enables multidimensional and dynamic modulation of the laser beam,which significantly improves the processing efficiency,accuracy,and flexibility,and presents wider prospects over traditional mechanical technologies for machining three-dimensional,hard,brittle,or transparent *** this review,we introduce:(1)The role of spatial light modulation technology in the development of femtosecond laser manufacturing;(2)the structured light generated by spatial light modulation and its generation methods;and(3)representative applications of spatial-light-modulated femtosecond laser manufacturing,including aberration correction,parallel processing,focal field engineering,and polarization ***,we summarize the present challenges in the field and possible future research.

关键词： femtosecond laser manufacturing spatial light modulation structured light aberration correction parallel processing focal field engineering polarization control

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Reactive molecular dynamics insight into the thermal decomposition mechanism of 2,6-Bis(picrylamino)-3,5-dinitropyridine

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Defence Technology（防务技术） 2024年第3期33卷 134-146页

作者： Jianbo Fu Hui Ren Xinzhou Wu Yongjin Chen Mi Zhang Yazhi Cheng state key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China

2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much *** this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)*** detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly *** the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration *** the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is *** final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the *** clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by *** low temperatures(2500 K-2750 K),many clusters are *** high temperatures(2750 K-3250 K),the clusters aggregate to form larger *** 3500 K,the large clusters decompose and become *** the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of ***'s initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/*** work contributes to a theoretical understanding of PYX's entire thermal decomposition process.

关键词： PYX Thermal decomposition ReaxFF-lg MD simulations Excellent thermostable explosives

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Mesoscale Mechanical Properties and Influencing Factors of Concrete under Uniaxial Tension

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Journal of Wuhan University of Technology(Materials Science) 2024年第5期39卷 1156-1168页

作者： CHEN Tao LI Kungang XIAO Shiyun state key Laboratory of Coastal and Offshore Engineering Dalian University of TechnologyDalian 116024China

Monte Carlo simulations were carried out to generate a mesoscale model of concrete with randomly packed aggregates with different shapes and *** mechanical properties of concrete specimens under uniaxial tensile loads were studied using statistical *** results indicated that the entire process of damage and failure of specimens exhibited mainly two failure types:fracture patternsⅠandⅡ.Furthermore,the influences of the aggregate content ratio,aggregate shape,aggregate size,interfacial transition zone(ITZ)strength,and porosity ratio on the concrete specimens were *** numerical simulation results showed that the elastic modulus of the concrete specimens increased approximately linearly with the aggregate volume ratio but decreased linearly with the porosity and was not affected by the ITZ *** tensile strength decreased with the increases in the aggregate content and porosity of the sample,but increased linearly with the ITZ *** addition,the aggregate shape led to a difference in the tensile strength of the concrete.

关键词： concrete mechanical behavior aggregate interfacial transition zone pore

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Highly selective photocatalytic reduction of CO_(2) to CH_(4) on electron-rich Fe species cocatalyst under visible light irradiation

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Carbon Energy 2024年第1期6卷 255-266页

作者： Qianying Lin Jiwu Zhao Pu Zhang Shuo Wang Ying Wang Zizhong Zhang Na Wen Zhengxin Ding Rusheng Yuan Xuxu Wang Jinlin Long state key Laboratory of Photocatalysis on Energy and Environment College of ChemistryFuzhou UniversityFuzhouChina

Efficient photocatalytic reduction of CO_(2) to high-calorific-value CH4,an ideal target product,is a blueprint for C_(1)industry relevance and carbon neutrality,but it also faces great ***,we demonstrate unprecedented hybrid SiC photocatalysts modified by Fe-based cocatalyst,which are prepared via a facile impregnation-reduction method,featuring an optimized local electronic *** exhibits a superior photocatalytic carbon-based products yield of 30.0μmol g^(−1) h^(−1) and achieves a record CH_(4) selectivity of up to 94.3%,which highlights the effectiveness of electron-rich Fe cocatalyst for boosting photocatalytic performance and ***,the synergistic effects of directional migration of photogenerated electrons and strongπ-back bonding on low-valence Fe effectively strengthen the adsorption and activation of reactants and intermediates in the CO_(2)→CH_(4) *** study inspires an effective strategy for enhancing the multielectron reduction capacity of semiconductor photocatalysts with low-cost Fe instead of noble metals as cocatalysts.

关键词： artificial synthesis of CH_(4) electronic structure optimization Fe species cocatalyst photocatalytic CO_(2) reduction SiC

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Development and prospects of molten steel deoxidation in steelmaking process

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International Journal of Minerals,Metallurgy and Materials 2024年第1期31卷 18-32页

作者： Zhongliang Wang Yanping Bao state key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China

In the long traditional process of steelmaking,excess oxygen is blown into the converter,and alloying elements are used for *** inevitably results in excessive deoxidation of products remaining within the steel liquid,affecting the cleanliness of the *** the increasing requirements for steel performance,reducing the oxygen content in the steel liquid and ensuring its high cleanliness is *** more than a hundred years of development,the total oxygen content in steel has been reduced from approximately 100×10^(-6)to approximately 10×10^(-6),and it can be controlled below 5×10^(-6)in some steel grades.A relatively stable and mature deoxidation technology has been formed,but further reducing the oxygen content in steel is no longer significant for improving steel *** research team developed a deoxidation technology for bearing steel by optimizing the entire conventional *** technology combines silicon–manganese predeoxidation,ladle furnace diffusion deoxidation,and vacuum final *** successfully conducted industrial experiments and produced interstitial-free steel with natural decarbonization ***-aluminum deoxidation was found to control the oxygen content in bearing steel to between 4×10^(-6) and 8×10^(-6),altering the type of inclusions,eliminating large particle Ds-type inclusions,improving the flowability of the steel liquid,and deriving a higher fatigue *** natural decarbonization predeoxidation of interstitial-free steel reduced aluminum consumption and production costs and significantly improved the quality of cast billets.

关键词： steel deoxidation deoxidizer metallurgical equipment bearing steel IF steel

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Global Dynamic Responses and Progressive Failure of Submerged Floating Tunnel Under Cable Breakage Conditions

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China Ocean Engineering 2024年第4期38卷 676-688页

作者： ZHOU Xiang-bo QIAO Dong-sheng WANG Ming TANG Guo-qiang LU Lin OU Jinping state key Laboratory of Coastal and Offshore Engineering Dalian University of TechnologyDalian 116024China

The Submerged Floating Tunnel(SFT)relies on a tensioned mooring system for precise *** sudden breakage of a single cable can trigger an immediate alteration in the constraint conditions of the tube,inducing a transient heave response within the structure along with a transient increase in cable tension experienced by adjacent *** more severe cases,this may even lead to a progressive failure culminating in the global destruction of the *** study used ANSYS/AQWA to establish a numerical model of the entire length SFT for the hydrodynamic response analysis,and conducted a coupled calculation of the dynamic responses of the SFT-mooring line model based on Orca Flex to study the global dynamic responses of the SFT at the moment of cable breakage and the redistribution of cable internal *** most unfavorable position for SFT cable breakage was identified,the influence mechanism of cable breakage at different positions on the global dynamic response was revealed,and the progressive chain failure pattern caused by localized cable breakage are also clarified.

关键词： submerged floating tunnel cable breakage global dynamic responses progressive failure

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Process in laser drilling of deep microholes without taper on metal materials

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Science China(Technological Sciences) 2024年第1期67卷 37-59页

作者： FAN RunZe MEI XueSong CUI JianLei state key Laboratory for Manufacturing Systems Engineering Xi’an Jiaotong UniversityXi’an 710054China

Deep microhole machining is currently a prominent research area within the aerospace field,encompassing blade film cooling and fuel injection control ***,taper defects in metal materials may lead to performance degradation or even structural damage over a component’s *** and helical drilling,facilitated by ultrashort pulse lasers,have proven more suitable for achieving high-precision,deep holes in metal ***,excessive repetition rates can also result in severe thermal *** methods are commonly employed for controlling taper,including parameter optimization,assistance,and secondary *** laser beam drilling is widely utilized and has been integrated into relevant machining systems for commercial *** deep microholes include film cooling holes and injection *** drilling is a potential machining method for new materials in the aerospace *** laser drilling processing has been studied,numerous related scientific challenges and technical difficulties must be addressed before practical implementation.

关键词： aerospace laser drilling deep microhole taper control

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