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Discovering the ultralow thermal conductive A_(2)B_(2)O_(7)-type high-entropy oxides through the hybrid knowle dge-assiste d data-driven machine learning

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Journal of materials Science & technology 2024年第1期168卷 131-142页

作者： Ying Zhang Ke Ren William Yi Wang Xingyu Gao Ruihao Yuan Jun Wang Yiguang Wang Haifeng Song Xiubing Liang Jinshan Li State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Innovation Center NPU ChongqingChongqing 401135China Institute of Advanced Structure Technology Beijing Institute of TechnologyHaidian DistrictBeijing 100081China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Defense Innovation Institute Academy of Military Sciences of the PLA of ChinaBeijing 100071China

Lattice engineering and distortion have been considered one kind of effective strategies for discovering advanced *** instinct chemical flexibility of high-entropy oxides(HEOs)motivates/accelerates to tailor the target properties through phase transformations and lattice ***,a hybrid knowledge-assisted data-driven machine learning(ML)strategy is utilized to discover the A_(2)B_(2)O_(7)-type HEOs with low thermal conductivity(κ)through 17 rare-earth(RE=Sc,Y,La-Lu)solutes optimized A-site.A designing routine integrating the ML and high throughput first principles has been proposed to predict the key physical parameter(KPPs)correlated to the targetedκof advanced *** the smart-designed 6188(5RE_(0.2))_(2)Zr_(2)O_(7)HEOs,the best candidates are addressed and validated by the princi-ples of severe lattice distortion and local phase transformation,which effectively reduceκby the strong multi-phonon scattering and weak interatomic ***,(Sc_(0.2)Y_(0.2)La_(0.2)Ce_(0.2)Pr_(0.2))_(2)Zr_(2)O_(7)with predictedκbelow 1.59 Wm^(−1)K^(−1)is selected to be verified,which matches well with the ex-perimentalκ=1.69 Wm^(−1)K^(−1)at 300 K and could be further decreased to 0.14 Wm^(−1)K^(−1)at 1473 ***,the coupling effects of lattice vibrations and charges on heat transfer are revealed by the cross-validations of various models,indicating that the weak bonds with low electronegativity and few bond-ing charge density and the lattice distortion(r∗)identified by cation radius ratio(r A/r B)should be the KPPs to decreaseκ*** work supports an intelligent designing strategy with limited atomic and electronic KPPs to accelerate the development of advanced multi-component HEOs with proper-ties/performance at multi-scales.

关键词： High-entropy oxides Thermal conductivity Pyrochlore key physical parameter First-Principles

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Oxidation and internal nitridation behaviors of a Ni-based superalloy Rene 65 during high-temperature homogenization

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Journal of Iron and Steel Research International 2023年第8期30卷 1622-1632页

作者： Xian-guang Zhang Jia-jun Chen Yang Zhou Lang Shui Dong-ping Xiao Jian-hui Fu Wen-chao Yang Huan Liu Ying-jie Ren Peng Shi Jian Zhang State Key Laboratory of Advanced Metallurgy University of Science and Technology Beijing(USTB)Beijing 100083China School of Metallurgical and Ecological Engineering University of Science and Technology Beijing(USTB)Beijing 100083China Chengdu Advanced Metal Materials Industrial Technology Institute Co. Ltd.Chengdu 610300SichuanChina Iron and State Key Laboratory of Metal Material for Marine Equipment and Application Anshan 114009LiaoningChina Pangang Group Research Institute Co. Ltd.Panzhihua 617000SichuanChina

Homogenization heat treatment is a key process to remove the micro-segregation and re-dissolve the undesired phases for wrought *** oxidation behavior of the wrought superalloy during the high-temperature homogenization process,however,was rarely *** oxidation film evolution and growth kinetics of an as-cast superalloy Rene 65 during the homogenization were systematically *** oxide film consists of Cr_(2)O_(3) external oxidation layer and dendritic TiO_(2) and Al_(2)O_(3) internal oxidation *** the growth kinetics of the oxide film followed a parabolic *** nitridation occurs during the oxidation process,and TiN is apparently formed at the tip of internal oxidation *** originally formed TiN can be transformed into TiO_(2) or retained with the progress of ***,the TiN is newly formed in the deeper matrix at the new oxidation-layer *** analyses revealed that there is a competition between the oxidation and *** can occur when the partial pressure of nitrogen exceeds the threshold of nitridation and the critical partial pressure ratio of nitrogen and oxygen.

关键词： Nickel-based superalloy Homogenization Oxidation Kinetics Internal nitridation Thermodynamics

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Ultrathin Metal Silicate Hydroxide Nanosheets with Moderate Metal-Oxygen Covalency Enables Efficient Oxygen Evolution

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Energy & Environmental materials 2022年第1期5卷 231-237页

作者： Jiexin Zhu Shikun Li Zechao Zhuang Shan Gao Xufeng Hong Xuelei Pan Ruohan Yu Liang Zhou Lyudmila V.Moskaleva Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Institute of Applied and Physical Chemistry and Center for Environmental Research and Sustainable Technology University of Bremen Department of Chemistry University of the Free State Collage of Chemistry & Chemical Engineering Anhui University Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen Valleyfoshan guangdong 528200china

Exploring efficient,cost-effective,and durable electrocatalysts for electrochemical oxygen evolution reaction(OER)is pivotal for the large-scale application of water *** advance has demonstrated that the activity of electrocatalysts exhibits a strong dependence on the surface electronic ***,a series of ultrathin metal silicate hydroxide nanosheets(UMSHNs)M_(3)Si_(2)O_(5)(OH)_(4)(M=Fe,Co,and Ni)synthesized without surfactant are introduced as highly active OER *** silicate hydroxide nanosheets show an optimal OER activity with overpotentials of 287 and 358 m V at 1 and 10 m A cm^(-2),*** experimental and theoretical studies,it is found that the OER activity of UMSHNs is dominated by the metal-oxygen covalency(MOC).High OER activity can be achieved by having a moderate MOC as reflected by aσ^(*)-orbital(e_(g))filling near unity and moderate[3d]/[2p]***,the UMSHNs exhibit favorable chemical stability under oxidation *** contribution provides a scientific guidance for further development of active metal silicate hydroxide catalysts.

关键词： electrocatalysis metal silicate hydroxide metal-oxygen covalency oxygen evolution reaction ultrathin nanosheet

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Defect-rich bismuth metallene for efficient CO_(2) electroconversion

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Chinese Journal of Structural Chemistry 2023年第8期42卷 11-16页

作者： Bo-Qiang Miao Wen-Sheng Fang Bin Sun Fu-Min Li Xiao-Chen Wang Bao-Yu Xia Yu Chen Key Laboratory of Macromolecular Science of Shaanxi Province Shaanxi Key Laboratory for Advanced Energy DevicesSchool of Materials Science and EngineeringShaanxi Normal UniversityXi'an710062PR China School of Chemistry and Chemical Engineering Key Laboratory of Material Chemistry for Energy Conversion and Storage(Ministry of Education)Hubei Key Laboratory of Material Chemistry and Service FailureHubei Engineering Research Center for Biomaterials and Medical Protective MaterialsWuhan National Laboratory for OptoelectronicsHuazhong University of Science and Technology(HUST)1037 Luoyu RdWuhan430074PR China

*** Carbon dioxide reduction(CO_(2)RR)technology has attracted much attention in recent years and can effectively decrease the greenhouse effect and simultaneously achieve chemical energy storage[1].In the electrochemical process,a large overpotential is generally required to activate inert CO_(2)molecules,resulting in the inevitable competition reaction from the hydrogen evolution reaction(HER)and consequently decreasing the faradaic efficiency of CO_(2)RR[2,3].Among various reduction products of CO_(2)RR,formate is the most prevalent product with important applications in the energy conversion and chemical *** a host of catalysts that can convert CO_(2)to formate,bismuth(Bi)-based nanomaterials are highly promising electrocatalysts for the conversion of CO_(2)to formate due to their high faradaic efficiency and good ***,the preparation method and catalytic activity of Bi-based nanomaterials still need to be further improved for industrial conversion of the CO_(2)RR.

关键词： stability. bismuth dioxide

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Tiny Target Detection with Adaptive Weighted Feature Fusion in UAV Images 2

Tiny Target Detection with Adaptive Weighted Feature Fusion ...

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2nd IEEE International Conference on Signal, Information and Data processing, ICSIDP 2024

作者： Kang, Xiaohui Zheng, Lingjie Deng, Zhiyuan Han, Yuqi Tang, Linbo Deng, Chenwei Beijing Institute of Technology Beijing Key Laboratory of Embedded Real-Time Information Processing Technology Beijing China Beijing Institute of Technology Advanced Technology Research Institute Jinan250300 China Beijing Institute of Technology Beijing China

ISBN: (纸本)9798331515669

With the development of drones, imaging lenses and other equipment, effective and accurate detection of tiny targets in drone remote sensing images has become a hotspot. However, the features of tiny targets are weak and difficult to extract. Most existing methods enhance the target feature expression by directly superimposing and fusing multi-scale feature maps. Only the features with stronger responses in adjacent feature maps can be enhanced, while the targets with weaker responses may be diluted. For this reason, an adaptive weighted fusion small target detection algorithm is designed. To enhance the proportion of small targets in feature maps of different resolutions, a bidirectional feature pyramid network is designed. The adaptive weights are set according to the feature density in the feature map, and they will be used to perform bidirectional fusion on feature maps to reduce the interference of background and large targets on the features of small targets. Besides, we design multi-scale dilated convolution, which is injected into the feature fusion network. In this way, we successfully enhance the expression of small target feature. Finally, we test the algorithm via the public dataset VisDrone, the results show that our methods significantly improve the accuracy of small target detection. © 2024 IEEE.

关键词： Drones

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Dealloyed TiCuMn efficiently catalyze the NO reduction and Zn-NO batteries

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Frontiers of Chemical Science and Engineering 2024年第9期18卷 51-59页

作者： Lang Zhang Tong Hou Weijia Liu Yeyu Wu Tianran Wei Junyang Ding Qian Liu Jun Luo Xijun Liu State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures MOE Key Laboratory of New Processing Technology for Nonferrous Metals and MaterialsSchool of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China Education Department of Guangxi Zhuang Autonomous Region Key Laboratory of Applied Analytical ChemistryGuangxi Collaborative Innovation Center for Chemistry and Engineering of Forest ProductsGuangxi Key Laboratory of Chemistry and Engineering of Forest ProductsKey Laboratory of Chemistry and Engineering of Forest ProductsState Ethnic Affairs CommissionSchool of Chemistry and Chemical EngineeringGuangxi Minzu UniversityNanning 530006China Institute for New Energy Materials&Low-Carbon Technologies School of Materials Science and EngineeringTianjin University of TechnologyTianjin 300384China Institute for Advanced Study Chengdu UniversityChengdu 610106China ShenSi Lab Shenzhen Institute for Advanced StudyUniversity of Electronic Science and Technology of ChinaShenzhen 518110China

Electrocatalytic NO reduction reaction offers a sustainable route to achieving environmental protection and NH3 production targets as *** this work,a class of dealloyed Ti_(60)Cu_(33)Mn_(7)ribbons with enough nanoparticles for the high-efficient NO reduction reaction to NH_(3)is fabricated,reaching an excellent Faradaic efficiency of 93.2%at–0.5 V vs reversible hydrogen electrode and a high NH_(3) synthesis rate of 717.4μmol·h^(-1)·mg_(cat).^(-1) at–0.6 V vs reversible hydrogen *** formed nanoparticles on the surface of the catalyst could facilitate the exposure of active sites and the transportation of various reactive ions and ***,the Mn content in the TiCuMn ribbons modulates the chemical and physical properties of its surface,such as modifying the electronic structure of the Cu species,optimizing the adsorption energy of N^(*)atoms,decreasing the strength of the NO adsorption,and eliminating the thermodynamic energy barrier,thus improving the NO reduction reaction catalytic ***,a Zn-NO battery was fabricated using the catalyst and Zn plates,generating an NH_(3) yield of 129.1µmol·h^(-1)·cm^(-2)while offering a peak power density of 1.45 mW·cm^(-2).

关键词： nitric oxide reduction NH_(3)electrosynthesis TiCuMn alloy Mn modulation Zn-NO battery

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Science China(Physics,Mechanics & Astronomy) 2024年第12期67卷 24-31页

作者： Xiaolei Hao Junping Wang Zhaohan Zhang Jiarui Qin Zheng Shu Chan Li Jingyu Zhang Weidong Li Feng He Jing Chen Institute of Theoretical Physics and Department of Physics State Key Laboratory of Quantum Optics and Quantum Optics DevicesCollaborative Innovation Center of Extreme OpticsShanxi UniversityTaiyuan 030006China State Key Laboratory of Precision Spectroscopy East China Normal UniversityShanghai 200241China Chongqing Key Laboratory of Precision Optics Chongqing Institute of East China Normal University Chongqing 40121China Key Laboratory for Laser Plasmas(Ministry of Education)and School of Physics and Astronomy Collaborative Innovation Centerfor IFSAShanghai Jiao Tong UniversityShanghai 200240China Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology and College of Engineering PhysicsShenzhen Technology UniversityShenzhen 518118China CAS Center for Excellence in Ultra-intense Laser Science Shanghai 201800China Hefei National Laboratory Department of Modern PhysicsUniversity of Scienceand Technology of ChinaHefei 230026China

Comprehension of photon-triggered molecular processes is essential in the study of various important topics in physics,chemistry,and *** we propose a correlated tunneling picture to understand the dissociative ionization process of molecules in intense laser fields based on a quantum model developed in the framework of many-body S-matrix theory including nuclear vibrational *** this quantum correlation picture,the single ionization of H_(2)and the subsequent electron-ion recollisioninduced dissociation are considered as an entangled correlated *** enables us to attribute the interference pattern in the joint-energy spectra to combined effects of single-slit diffraction and multi-slit interference of correlated electron-nuclear wave packets in the time *** work opens a new avenue to understanding molecular dissociative ionization processes in external fields.

关键词： molecular dissociative ionization electron-nuclear correlation intense laser field

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Emerging Carbon Nanotube-Based Nanomaterials for Stable and Dendrite-Free Alkali Metal Anodes:Challenges,Strategies,and Perspectives

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Energy & Environmental materials 2023年第6期6卷 50-72页

作者： Zhongxiu Liu Yong Liu Yingjie Miao Guilong Liu Renhong Yu Kunming Pan Guangxin Wang Xinchang Pang Jianmin Ma Provincial and Ministerial Co-construction of Collaborative Innovation Center for Non-Ferrous Metal New Materials and Advanced Processing Technology Henan Key Laboratory of Non-Ferrous Materials Science&Processing TechnologySchool of Materials Science and EngineeringHenan University of Science and TechnologyLuoyang 471023China Longmen Laboratory Luoyang 471023China Key Laboratory of Function-Oriented Porous Materials of Henan Province College of Chemistry and Chemical EngineeringLuoyang Normal UniversityLuoyang 471934China School of Materials Science and Engineering Zhengzhou University Zhengzhou 450001China School of Materials and Energy University of Electronic Science and Technology of ChinaChengdu 611731China

Alkali metals(Li,Na,and K)are promising candidates for high-performance rechargeable alkali metal battery anodes due to their high theoretical specific capacity and low electrochemical ***,the actual application of alkali metal anodes is impeded by the challenges of alkali metals,including their high chemical reactivity,uncontrolled dendrite growth,unstable solid electrolyte interphase,and infinite volume expansion during cycling *** carbon nanotube-based nanomaterials in alkali metal anodesis an effective solution to these *** nanomaterials have attracted widespread attention owing to their unique properties,such as their high specific surface area,superior electronic conductivity,and excellent mechanical *** the rapidly growing research enthusiasm for this topic in the last several years,we review recent progress on the application of carbon nanotube-based nanomaterials in stable and dendrite-free alkali metal *** merits and issues of alkali metal anodes,as well as their stabilizing strategies are ***,the relationships among methods of synthesis,nano-or microstructures,and electrochemical properties of carbon nanotube-based alkali metal anodes are systematically *** addition,advanced characterization technologies on the reaction mechanism of carbon nanotube-based nanomaterials in alkali metal anodes are also ***,the challenges and prospects for future study and applications of carbon nanotube-based AMAs in high-performance alkali metal batteries are discussed.

关键词： alkali metal anodes carbon nanotube dendrite free electrochemical performance nanomaterials

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Nonflammable electrolyte with weak-solvation structure for stable NCM811 cathode under high temperature

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Journal of Energy Chemistry 2025年第5期104卷 111-117页

作者： Dawei Xu Chao Yang Ailing Yang Xiaowei Liu Meilong Wang Jin Han Tiefeng Liu Ya You State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070HubeiChina International School of Materials Science and Engineering School of Materials Science and MicroelectronicsWuhan University of TechnologyWuhan 430070HubeiChina College of Chemical and Biological Engineering Zhejiang UniversityHangzhou 310058ZhejiangChina Quzhou Institute of Power Battery and Grid Energy Storage Quzhou 324000ZhejiangChina

High-nickel cathode LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)could enable lithium-ion batteries(LIBs)with high energy ***,excessive decomposition of the electrolyte would happen in the high operating voltage *** addition,the utilization of flammable organic solvents would increase safety risks in the high temperature ***,an electrolyte consisting of flame-retardant solvents with lower highest occupied molecular orbital(HOMO)level and LiDFOB salt is proposed to address above two *** a result,a thin and robust cathode-electrolyte interface containing rich LiF and Li-B-O compounds is formed on the cathode to effectively suppress electrolyte decomposition in the high operating *** NCM811||Li cell paired with this designed electrolyte possesses a capacity retention of 72%after 300 cycles at 55℃.This work provides insights into developing electrolyte for stable high-nickel cathode operated in the high temperature.

关键词： Electrolyte engineering Weak solvation High temperature Safety High-nickel cathode

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Insight the long-term biodegradable Mg-RE-Sr alloy for orthopaedics implant via friction stir processing

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Bioactive materials 2024年第11期41卷 293-311页

作者： Yixing Zhu Mengran Zhou Weikang Zhao Yingxin Geng Yujie Chen Han Tian Yifan Zhou Gaoqiang Chen Ruizhi Wu Yufeng Zheng Qingyu Shi State Key Laboratory of Clean and Efficient Turbomachinery Power Equipment Department of Mechanical EngineeringTsinghua UniversityBeijing100084PR China Key Laboratory for Advanced Materials Processing Technology Ministry of EducationBeijing100084PR China Department of Orthopedics The First Affiliated Hospital of Chongqing Medical UniversityChongqing400016PR China Key Laboratory of Superlight Materials&Surface Technology(Ministry of Education) Harbin Engineering UniversityHarbin150001PR China School of Materials Science and Engineering Peking UniversityBeijing100871PR China

Magnesium alloys,noted for their substantial mechanical strength and exceptional biocompatibility,are increasingly being considered for use in biodegradable ***,their rapid degradation and significant hydrogen release have limited their applications in *** this study,a novel Mg-RE-Sr alloy was created by friction stir processing to modify its microstructure and enhance its degradation *** microstructural characterization,the friction stir processing effectively refined the grains,accelerated the re-dissolution of precipitates,and ensured a uniform distribution of these *** processed alloy demonstrated improved comprehensive properties,with an in vitro corrosion rate of approximately 0.4 mm/y and increases in ultimate tensile strength and elongation by 37%and 166%,***,in vivo experiments involving a rat subcutaneous implantation model revealed a slower degradation rate of 0.09 mm/y and a uniform degradation process,basically achieving the requirements for ideal performance in orthopaedic *** superior degradation characteristics were attributed to the synergistic effect of attenuated galvanic corrosion and the formation of a dense Y(OH)3/Y2O3 film induced by an exceptional microstructure with a highly solid-soluted matrix and uniformly refined ***,the alloys exhibited excellent biocompatibility and did not cause undesirable inflammation or produce toxic degradation *** improvements in biocompatibility and degradation characteristics indicate great promise for the use of this friction stir processed alloy in osteosynthesis systems in the clinical setting.

关键词： Magnesium alloy Friction stir processing Microstructural evolution Biodegradable Biocompatibility

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