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Journal of Magnesium and Alloys 2024年第1期12卷 225-236页

作者： Shuo wang Daokui Xu Dongliang wang Zhiqiang Zhang Baojie wang Key Lab of Electromagnetic Processing of Materials Ministry of EducationNortheastern UniversityShenyang110819China Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of SciencesShenyang110016China Engineering Research Center of Advanced Materials Preparing Technology Ministry of EducationNortheastern UniversityShenyang110819China School of Environmental and Chemical Engineering Shenyang Ligong UniversityShenyang110159China Binzhou Institute of Technology BinzhouShandong Province256606China Shandong Key Laboratory of Advanced Aluminium Materials and Technology BinzhouShandong Province256606China

Through exploring the stress corrosion cracking(SCC)behaviors of the as-cast Mg-8%Li and Mg-8%Li-6%Zn-1.2%Y alloys in a 0.1 M NaCl solution,it revealed that the SCC susceptibility index(I_(SCC))of the Mg-8%Li alloy was 47%,whilst the I_(SCC)of the Mg-8%Li-6%Zn-1.2%Y alloy was 68%.Surface,cross-sectional and fractography observations indicated that for the Mg-8%Li alloy,theα-Mg/β-Li interfaces acted as the preferential crack initiation sites and propagation paths during the SCC *** regard to the Mg-8%Li-6%Zn-1.2%Y alloy,the crack initiation sites included the I-phase and the interfaces of I-phase/β-Li andα-Mg/β-Li,and the preferential propagation paths were the I-phase/β-Li andα-Mg/β-Li ***,the SCC of the two alloys was concerned with hydrogen embrittlement(HE)mechanism.

关键词： Magnesium-lithium alloy Stress corrosion cracking I-phase Fracture analysis

Physical mechanism of the rapid increase in intense and long-lived extreme heatwaves in the Northern Hemisphere since 1980

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Science China Earth Sciences 2024年第7期67卷 2103-2121页

作者： Yuqing wang Wen ZHOU Chunzai wang Key Laboratory of Polar Atmosphere-ocean-ice System for Weather and Climate of the MOE Department of Atmospheric and Oceanic Sciences&Institute of Atmospheric SciencesFudan UniversityShanghai 200438China Key Laboratory for Polar Science of the MNR Polar Research Institute of ChinaShanghai 201209China State Key Laboratory of Tropical Oceanography South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Global Ocean and Climate Research Center South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China

Since 1980,both the intensity and duration of summer heatwaves in the middle and high latitudes of the Northern Hemisphere have significantly increased,leading this region to become a critical area for a significant increase in the frequency of intense and long-lived extreme *** found that stronger and more persistent high-pressure systems and lower soil moisture before the events were the main drivers of intense and long-lived extreme heatwaves in western Europe and the middle and high latitudes of North ***,in eastern Europe and Siberia,lower cloud cover before events is also a main driver of this type of extreme heatwave,in addition to the above *** factors are coupled with each other and can change heatwave intensity and duration by influencing surface radiation processes during *** the self-organizing map classification method,we found that 6 weather patterns with increased frequency,intensity,and duration were the main dynamic reasons leading to the increase in intense and long-lived extreme heatwaves after *** addition,the decrease in summer average soil moisture in most areas of the mid-high latitudes of the Northern Hemisphere and the decrease in average cloud cover in eastern Europe and Siberia are found to be the main thermodynamic reasons leading to the increase in these extreme heatwaves.

关键词： High intensity Long duration Extreme heatwaves High pressure system Soil moisture Cloud cover

Effect of Operation Parameters on the Thermal Characteristics in a Planar Solid Oxide Fuel Cell

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Journal of Thermal Science 2024年第5期33卷 1974-1989页

作者： wang Mingyuan wang Ke wang Yongqing CHEN Jiangshuai AN Bo TU Shantung School of Mechanics and Safety Engineering Zhengzhou UniversityZhengzhou 450001China Key Laboratory of Process Heat Transfer and Energy Saving of Henan Province Zhengzhou UniversityZhengzhou 450002China School of Mechanical and Power Engineering Zhengzhou UniversityZhengzhou 450001China Key Laboratory of Pressure Systems and Safety(MOE) East China University of Science&TechnologyShanghai 200237China

Effective operation strategies in the solid oxide fuel cell(SOFC)can adjust the spatial distribution of temperature gradient favoring the long-term *** investigate the effects of different operating conditions on the thermal behavior inside SOFC,a three-dimensional model is developed in this *** model is verified by comparing it with the experimental *** heat generation rate and its variation under different operating conditions are *** combined effects of operating voltage and gas temperature are considered to be the key factor influencing the temperature *** to the original case,the temperature of SOFC decreases by 21.4 K when the fuel velocity reaches 5 m/*** the maximum temperature gradient increases by21.2%.Meanwhile,higher fuel velocities can eliminate about 32%of the area with higher temperature *** when the oxidant velocity reaches 7.5 m/s,the peak temperature gradient effectively decreases by 16.59%.Simultaneous adjustment of the oxidant and fuel velocities can effectively reduce the peak temperature gradient and increase the safety *** effects of operation conditions on the temperature gradient of the cell are clarified in this study,which can be a reference for further research on the reliability of SOFCs.

关键词： SOFC heat generation temperature gradient distribution heat source thermal behavior

Steel-refractory reactions in lanthanum-,cerium-,and ytrium-added steels

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Journal of Iron and Steel Research International 2024年第6期31卷 1473-1485页

作者： Jian Kang Hong-po wang Yu wang College of Materials Science and Engineering Chongqing UniversityChongqing 400044China The State Key Laboratory of Mechanical Transmissions Chongqing UniversityChongqing 400044China

A systematic experimental study was conducted on the similarities and differences in the reactions between commonly used rare earth elements(REEs)and frequently used refractories in the steelmaking *** results indicate that the reaction behaviors of La,Ce,and Y with MgO,Al_(2)O_(3),and MgO·Al_(2)O_(3) crucibles differed *** consumption rates of La,Ce,and Y in the molten steel were in descending order of La>Ce>Y for smelting with all three kinds of *** the REEs reacted with the crucible,the contents of Mg and Al showed a trend of first increasing and then *** laboratory-scale smelting conditions,the reactions related to REEs were dominated by steel-crucible reactions,and the contact area between the unit mass of molten steel and refractory materials mainly determined the consumption rates of ***-and Ce-crucible reactions generated loose and porous reaction interfaces;however,Y-crucible reactions generated a dense Y_(2)O_(3) layer,dramatically suppressing the consumption rate of *** calculation indicated that the reactions between rare earth and different refractory materials were first-order *** crucible materials significantly affected the product type and morphology of the steel-crucible reaction interfaces,thereby influencing the consumption rate of *** reactions between REEs and refractories must be seriously considered,especially for small-scale smelting.

关键词： Rare earth Inclusion Refractory Thermodynamics Dynamics

Stereoselective recognition of morphine enantiomers by μ-opioid receptor

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National Science Review 2024年第3期11卷 183-191页

作者： Yibo wang Van A.Ngo Xiaohui wang Laboratory of Chemical Biology Changchun Institute of Applied ChemistryChinese Academy of Sciences Advanced Computing for Life Sciences and Engineering Group Science Engagement Section National Center for Computational Sciences Oak Ridge National Lab School of Applied Chemistry and Engineering University of Science and Technology of China Beijing National Laboratory for Molecular Sciences

Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor（MOR） exhibits binding affinity towards（-）-morphine, a well-established gold standard in pain management, while it shows minimal binding affinity for the（+）-morphine enantiomer, resulting in a lack of analgesic activity. Understanding how MOR stereoselectively recognizes morphine enantiomers has remained a puzzle in neuroscience and pharmacology for over half-a-century due to the lack of direct observation techniques. To unravel this mystery, we constructed the binding and unbinding processes of morphine enantiomers with MOR via molecular dynamics simulations to investigate the thermodynamics and kinetics governing MOR's stereoselective recognition of morphine enantiomers. Our findings reveal that the binding of（-）-morphine stabilizes MOR in its activated state, exhibiting a deep energy well and a prolonged residence time. In contrast,（+）-morphine fails to sustain the activation state of ***, the results suggest that specific residues, namely D1142.50and D1473.32, are deprotonated in the active state of MOR bound to（-）-morphine. This work highlights that the selectivity in molecular recognition goes beyond binding affinities, extending into the realm of residence time.

关键词： stereoselective recognition thermodynamics and kinetics residence time morphine enantiomers μ-opioid receptor

Adaptive Optimal Discrete-Time Output-Feedback Using an Internal Model Principle and Adaptive Dynamic Programming

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IEEE/CAA Journal of Automatica Sinica 2024年第1期11卷 131-140页

作者： Zhongyang wang Youqing wang Zdzisław Kowalczuk the College of Information Science and Technology Beijing University of Chemical TechnologyBeijing 100029China IEEE the Department of Robotics and Decision Systems Faculty of ElectronicsTelecommunications and InformaticsGdańsk University of TechnologyGdansk 80-233Poland

In order to address the output feedback issue for linear discrete-time systems, this work suggests a brand-new adaptive dynamic programming(ADP) technique based on the internal model principle(IMP). The proposed method, termed as IMP-ADP, does not require complete state feedback-merely the measurement of input and output data. More specifically, based on the IMP, the output control problem can first be converted into a stabilization problem. We then design an observer to reproduce the full state of the system by measuring the inputs and outputs. Moreover, this technique includes both a policy iteration algorithm and a value iteration algorithm to determine the optimal feedback gain without using a dynamic system model. It is important that with this concept one does not need to solve the regulator equation. Finally, this control method was tested on an inverter system of grid-connected LCLs to demonstrate that the proposed method provides the desired performance in terms of both tracking and disturbance rejection.

关键词： Adaptive dynamic programming(ADP) internal model principle(IMP) output feedback problem policy iteration(PI) value iteration(VI)

Encoding innumerable charge density waves of FeGe into polymorphs of LiFe_(6)Ge_(6)

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Science China(Physics,Mechanics & Astronomy) 2024年第9期67卷 126-132页

作者： Yilin wang School of Emerging Technology University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China New Cornerstone Science Laboratory University of Science and Technology of ChinaHefei 230026China

Kagome metals exhibit rich quantum states by the intertwining of lattice,charge,orbital and spin degrees of ***,a novel charge density wave(CDW)ground state was discovered in kagome magnet FeGe and was revealed to be driven by lowering magnetic energy via large ***,based on DFTcalculations,we show that such mechanism will yield infinitely many metastable CDWs in FeGe due to different ways to arrange the Ge1-dimerization in enlarged ***,utilizing these metastable CDWs,innumerable polymorphs of kagome magnet LiFe_(6)Ge_(6) can be stabilized by filling Li atoms in the voids right above/below the dimerized Ge1-sites in the CDW *** polymorphs are very stable due to the presence of magnetic-energy-saving mechanism,in sharp contrast to the non-magnetic“166”kagome *** this way,a one-to-one mapping of the metastable CDWs of FeGe to stable polymorphs of LiFe_(6)Ge_(6) is *** one hand,the fingerprints of these metastable CDWs,i.e.,the induced in-plane atomic distortions and band gaps,are encoded into the corresponding stable polymorphs of LiFe_(6)Ge_(6),such that further study of their properties becomes *** the other hand,such innumerable polymorphs of LiFe_(6)Ge_(6) offer great degrees of freedom to explore the rich physics of magnetic kagome *** thus reveal a novel connection between the unusually abundant CDWs and structural polymorphism in magnetic kagome materials,and establish a new route to obtain structural polymorphism on top of CDW states.

关键词： kagome magnet unconventional charge density wave structural polymorphism magnetic energy saving

A synergetic strategy of NIR-Ⅱ squaraine dyes with ultrahigh photothermal conversion efficiency for photothermal therapy

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Science China Chemistry 2024年第2期67卷 612-621页

作者： Yigang wang Guomin Xia Junhui wang Mingda wang Weihan Guo Manman Tan Leilei Si Yang Yang Hua wang Hongming wang Institute for Advanced Study and School of Chemistry and Chemical Engineering Nanchang UniversityNanchang330031China State Key Laboratory of Molecular Reaction Dynamics and Dynamics Research Center for Energy and Environmental Materials Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian116023China The Second Affiliated Hospital of Nanchang University Nanchang330031China

Recent research on photothermal therapy(PTT) has sparked significant interest in the development of new organic photothermal agents(PTAs),ranging from single-molecule to aggregated ***,controlling aggregation pathways for PTAs with ultrahigh photothermal conversion efficiency(PCE) remains a major ***,a two-pronged approach utilizing “Haggregation” and “intramolecular motion” was employed to enhance the PCE of an acceptor-substituted squaraine dye(NSQs).The C2vmolecular symmetry of the NSQs,which possess a ground state dipole moment(μg),promotes H-dimeric aggregates through dipole-dipole *** triphenylethylene or diphenylamine groups were added to this H-dimeric *** was done to enhance intramolecular motions for heat generation and also to extend conjugation,which redshifted the optical absorption and balanced the blue-shift induced by *** this technique,an organic PTA with NIR-II absorption was developed,and its nanoparticle achieved a remarkable PCE of 86.3% under 1,064 nm laser *** transient absorption spectroscopy and quantum mechanical calculations demonstrated the accelerated internal conversion process in NIR-II PTAs for rapid heat *** NSQs nanoparticles exhibit superior photothermal therapeutic properties for in vivo photoacoustic imaging-guided PTT,demonstrating the potential of bottom-up design to enable synergistic engineering strategies towards efficient phototheranostic agents.

关键词： squaraine dyes second near-infrared window H-aggregation intramolecular motion photothermal therapy

Surface Deposition of Ni(OH)_(2) and Lattice Distortion Induce the Electrochromic Performance Decay of NiO Films in Alkaline Electrolyte

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Energy & Environmental Materials 2024年第3期7卷 257-267页

作者： Kejun Xu Liuying wang Chaoqun Ge Long wang Bin wang Zhuo wang Chuanwei Zhang Gu Liu Xi'an Research Institute of High Technology Xi'an 710025China School of Material Science and Engineering Zhengzhou UniversityZhengzhou 450001China School of Mechanical Engineering Xi'an University of Science and TechnologyXi'an 710054China

NiO,an anodic electrochromic material,has applications in energy-saving windows,intelligent displays,and military ***,its electrochromic mechanism and reasons for its performance degradation in alkaline aqueous electrolytes are complex and poorly understood,making it challenging to improve NiO thin *** studied the phases and electrochemical characteristics of NiO films in different states(initial,colored,bleached and after 8000 cycles)and identified three main reasons for performance ***,Ni(OH)_(2)is generated during electrochromic cycling and deposited on the NiO film surface,gradually yielding a NiO@Ni(OH)_(2)core-shell structure,isolating the internal NiO film from the electrolyte,and preventing ion ***,the core-shell structure causes the mode of electrical conduction to change from first-to second-order conduction,reducing the efficiency of ion transfer to the surface Ni(OH)_(2)***,Ni(OH)_(2)and NiOOH,which have similar crystal structures but different b-axis lattice parameters,are formed during electrochromic cycling,and large volume changes in the unit cell reduce the structural stability of the thin ***,we clarified the mechanism of electrochromic performance degradation of NiO films in alkaline aqueous electrolytes and provide a route to activation of NiO films,which will promote the development of electrochromic technology.

关键词： alkaline electrolyte electrochromism NiO film performance attenuation mechanism

Assessing the dynamics of O2 desorption from cobalt phthalocyanine by in situ electrochemical scanning tunneling microscopy

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Journal of Energy Chemistry 2024年第11期98卷 144-148页

作者： Yu-Qi wang Yue Feng Xiang wang Dong wang CAS Key Laboratory of Molecular Nanostructure and Nanotechnology CAS Research/Education Center for Excellence in Molecular Sciences Beijing National Laboratory for Molecular Science (BNLMS) Institute of Chemistry Chinese Academy of Sciences University of Chinese Academy of Sciences

We report here the in situ electrochemical scanning tunneling microscopy（ECSTM） study of cobalt phthalocyanine（CoPc）-catalyzed O2evolution reaction（OER） and the dynamics of *** self-assembled CoPc monolayer is fabricated on Au（111） substrate and resolved by ECSTM in 0.1 M KOH *** OH-adsorption on CoPc prior to OER is observed in ECSTM *** OER,the generated O2adsorbed on Co Pc is observed in the CoPc *** step experiment is employed to monitor the desorption of OER-generated O2from CoPc,which results in the decreasing surface coverage of CoPc-O2with *** rate constant of O2desorption is evaluated through data *** insights into the dynamics of Co-O2dissociation at the molecular level via in situ imaging help understand the role of Co-O2in oxygen reduction reaction（ORR） and OER.

关键词： Cobalt phthalocyanine Electrochemical scanning tunneling microscopy Oxygen evolution reaction