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Theoretical Design of Defects as a Driving Force for Ion Transport in Li_(3)OBr Solid Electrolyte

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Energy & Environmental Materials 2024年第3期7卷 143-153页

作者： Xingyun luo Yanlu Li xian Zhao State Key Lab of Crystal Materials and Institute of Crystal Materials Shandong UniversityJinan 250100China Center for Optics Research and Engineering Shandong UniversityQingdao 266237China

Due to ever-increasing concerns about safety issues in using Li ionic batteries,solid electrolytes have extensively *** Li-rich antiperovskite Li_(3)OBr has been considered as a promising solid electrolyte candidate,but it still suffers challenges to achieve a high ionic conductivity owing to the high intrinsic symmetry of the crystal ***,we presented a design strategy that introduces various point defects and grain boundaries to break the high lattice symmetry of Li_(3)OBr crystal,and their effect and microscopic mechanism of promoting the migration of Li-ion were explored *** has been found that Li_(i)are the dominant defects responsible for the fast Li-ion diffusion in bulk Li_(3)OBr and its surface,but they are easily trapped by the grain boundaries,leading to the annihilating of the Frenkel defect pair V'_(Li)+Li_(i),and thus limits the V'_(Li)diffusion at the grain *** V_(Br)defect near the grain boundaries can effectively drive V'_(Li)across the grain boundary,thereby converting the carrier of Li^(+)migration from Li,in the bulk and surface to V'_(Li)at the grain boundary,and thus improving the ionic conductivity in the whole Li_(3)OBr *** work provides a comprehensive insight into the Li^(+)transport and conduction mechanism in the Li_(3)OBr *** opens a new way of improving the conductivity for all-solid-state Li electrolyte material through the defect design.

关键词： defects density functional theory ionic migration solid electrolyte

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A Mechanism of Initiative Transmission to Send Message on WEBGIS

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Journal of Geographic Information System 2010年第1期2卷 1-5页

作者： xian-gang luo Jing PENG Zhong XIE 不详

The paper researched and realized the initiative message transmission mechanism of WEBGIS server based on the N layer architecture of Internet. According to WEBGIS application long business operation as well as server information visualized in client side in real-time features, this article uses the Socket communication and the client side with JAVA Applet to realize that the WEB server can send message initiative to the client. It comes up and realizes a concrete plan of initiative transmission mechanism in WEBGIS. We run the realization plan based on Winsock through the project practice of Guangzhou cable TV network security monitoring and alarm system. The system operation has been verified in system running. The combination of this mechanism with conventional WEBGIS can greatly improve the performance and the usability of WEBGIS.

关键词： WEBGIS message initiative transmission

Combustion mechanism of benzene in iron ore sintering process:experimental and simulation

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Journal of Iron and Steel Research International 2024年第1期31卷 195-203页

作者： Zhi-gang Que Jin-ming Shi xian-bin Ai Institute of Energy Research Jiangxi Academy of ScienceNanchang330096JiangxiChina Jiangxi Carbon Neutralization Research Center Nanchang330096JiangxiChina

Benzene is a typical component of volatile organic compounds(VOCs)in the iron ore sintering flue *** combustion behavior of benzene directly affects the emission of VOCs in iron ore sintering *** effects of temperature,benzene,and oxygen concentrations on the conversion ratio of benzene were investigated by experiments and numerical *** experiments were carried out in a tube reactor at temperatures of 773-1098 K,benzene concentrations of 0.01-0.03 vol.%,and oxygen concentrations of 10-21 vol.%.The numerical simulation was performed with the plug flow model in the CHEMKIN program based on a kinetic model that consists of 132 chemical species and 772 elementary step-like *** experimental results reveal that increasing the temperature and benzene concentration could signifi-cantly promote benzene *** is attributed to the increase in the reaction rates of all steps in the pathway for forming CO_(2)and H_(2)*** addition,due to the large equivalent ratio of oxygen to benzene,the conversion ratio of benzene remained constant at different oxygen *** simulation results were in good agreement with the experimental results and indicated that six elementary reactions dominated the formations of CO_(2)and H_(2)*** oxidations of C_(6)H_(5)O,CO,and C_(5)H_(4)O intermediates to CO_(2)were the limiting steps in the reaction pathways.

关键词： Benzene Volatile organic compound Iron ore sinter Combustion Simulation Temperature Oxygen

Broadband spin Hall effect of light in single nanoapertures

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Light(Science & Applications) 2017年第1期6卷 769-774页

作者： xian-gang luo Ming-Bo Pu Xiong Li Xiao-Liang Ma State Key Laboratory of Optical Technologies on Nano-Fabrication and Micro-Engineering Institute of Optics and ElectronicsChinese Academy of SciencesChengdu 610209China

With properties not previously available,optical metamaterials and metasurfaces have shown their great potential in the precise control of light waves at the ***,the use of current metamaterials and metasurfaces is limited by the collective response of the meta-atoms/molecules,which means that a single element cannot provide the functionalities required by most ***,we demonstrate for the first time that a single achiral nanoaperture can be utilized as a meta-macromolecule to achieve giant angular spin Hall effect of *** controlling the spin-related momenta,we show that these nanoapertures can enable full control of the phase gradient at a deep-subwavelength level,thus forming unique building blocks for optical *** a proof-of-concept demonstration,a miniaturized Bessel-like beam generator and flat lens are designed and experimentally *** results presented here may open a door for the development of meta-macromolecule-based metasurfaces for integrated optical systems and nanophotonics.

关键词： geometric phase metasurface nanoaperture spin Hall effect of light

Main controlling factor and mechanism of gas-in-place content of the Lower Cambrian shale from different sedimentary facies in the western Hubei area, South China

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Petroleum Science 2024年第3期21卷 1488-1507页

作者： gang Li xian-Ming Xiao Bo-Wei Cheng Chen-gang Lu Yue Feng Dong-Sheng Li School of Energy Resources China University of Geosciences(Beijing)Beijing100083China Frontiers Science Center for Deep-time Digital Earth China University of Geosciences(Beijing)Beijing100083 China

The Lower Cambrian shale gas in the western Hubei area,South China has a great resource prospect,but the gas-in-place(GIP)content in different sedimentary facies varies widely,and the relevant mechanism has been not well *** the present study,two sets of the Lower Cambrian shale samples from the Wells YD4 and YD5 in the western Hubei area,representing the deep-water shelf facies and shallowwater platform facies,respectively,were investigated on the differences of pore types,pore structure and methane adsorption capacity between them,and the main controlling factor and mechanism of their methane adsorption capacities and GIP contents were *** results show that the organic matter(OM)pores in the YD4 shale samples are dominant,while the inorganic mineral(IM)pores in the YD5 shale samples are primary,with underdeveloped OM *** pore specific surface area(SSA)and pore volume(PV)of the YD4 shale samples are mainly from micropores and mesopores,respectively,while those of the YD5 shale samples are mainly from micropores and macropores,*** methane adsorption capacity of the YD4 shale samples is significantly higher than that of the YD5 shale samples,with a maximum absolute adsorption capacity of 3.13 cm^(3)/g and 1.31 cm^(3)/g in average,*** with the shallow-water platform shale,the deep-water shelf shale has a higher TOC content,a better kerogen type and more developed OM pores,which is the main mechanism for its higher adsorption *** GIP content models based on two samples with a similar TOC content selected respectively from the Wells YD4 and YD5 further indicate that the GIP content of the deep-water shelf shale is mainly 34 m^(3)/t within a depth range of 1000—4000 m,with shale gas exploration and development potential,while the shallow-water platform shale has normally a GIP content of<1 m^(3)/t,with little shale gas *** the geological and geochemical conditions of shale gas formation a

关键词： Lower Cambrian shale Deep-water shelf facies Shallow-waterplat form facies Pore structure Methane adsorption Gas-in-place content Controlling factor

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Nanomedicine Disrupts Stromal Barriers to Augment Drug Penetration for Improved Cancer Therapy

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Chinese Journal of Chemistry 2024年第10期42卷 1175-1189页

作者： Guo-Feng luo Wei-Hai Chen xian-Zheng Zhang state Key Laboratory of Oral&Maxillofacial Reconstruction and Regeneration Key Laboratory of Oral Biomedicine Ministry of EducationHubei KeyLaboratory of StomatologySchool&Hospital of StomatologyWuhan UniversityWuhanHubei 430079China Key Laboratoryof Biomedical Polymers of Ministry of Education&Departmentof Chemistry Wuhan UniversityWuhanHubei 430072China

Tumor stroma composing diverse extracellular matrixes(ECM)and stromal cells shapes a condensed physical barrier,which severely hampers the efficient accessibility of nanomedicine to tumor cells,especially these deep-seated in the core of *** barrier significantly compromises the antitumor effects of drug-loaded nanomedicine,revealing the remarkable importance of disrupting stromal barrier for improved tumor therapy with deep penetration *** achieve this goal,various nanoparticle-based strategies have been developed,including direct depleting ECM components via delivering anti-fibrotic agents or targeting stromal cells to suppress ECM expression,dynamic regulation of nanoparticles’physicochemical properties(i.e.,size,surface charge,and morphology),mechanical force-driven deep penetration,natural/biomimetic self-driven nanomedicine,and transcytosis-inducing *** these nanostrategies were systemically summarized in this review,and the design principles for obtaining admirable nanomedicine were *** the rapid development of nanotechnology,elaborate design of multifunctional nanomedicine provides new opportunities for overcoming the critical stromal barriers to maximize the therapeutic index of various therapies,such as chemotherapy,photodynamic therapy,and immunotherapy.

关键词： Nanomedicine Tumor stroma Deep penetration Enhanced drug perfusion Cancer therapy Drug carriers Biomaterials Nanotechnology

Investigations of methane adsorption characteristics on marine-continental transitional shales and gas storage capacity models considering pore evolution

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Petroleum Science 2024年第4期21卷 2273-2286页

作者： Chen-gang Lu xian-Ming Xiao Zhen-Qian Xue Zhang-Xin Chen Yin-Tao Dong Yue Feng gang Li School of Energy Resources China University of Geosciences (Beijing) School of Civil and Environmental Engineering Nanyang Technological University Chemical and Petroleum Engineering University of Calgary Eastern Institute of Technology (tentative) CNOOC Research Institute

Methane adsorption is a critical assessment of the gas storage capacity(GSC) of shales with geological conditions. Although the related research of marine shales has been well-illustrated, the methane adsorption of marine-continental transitional(MCT) shales is still ambiguous. In this study, a method of combining experimental data with analytical models was used to investigate the methane adsorption characteristics and GSC of MCT shales collected from the Qinshui Basin, China. The Ono-Kondo model was used to fit the adsorption data to obtain the adsorption parameters. Subsequently, the geological model of GSC based on pore evolution was constructed using a representative shale sample with a total organic carbon(TOC) content of 1.71%, and the effects of reservoir pressure coefficient and water saturation on GSC were explored. In experimental results, compared to the composition of the MCT shale, the pore structure dominates the methane adsorption, and meanwhile, the maturity mainly governs the pore structure. Besides, maturity in the middle-eastern region of the Qinshui Basin shows a strong positive correlation with burial depth. The two parameters, micropore pore volume and non-micropore surface area, induce a good fit for the adsorption capacity data of the shale. In simulation results, the depth,pressure coefficient, and water saturation of the shale all affect the GSC. It demonstrates a promising shale gas potential of the MCT shale in a deeper block, especially with low water saturation. Specifically,the economic feasibility of shale gas could be a major consideration for the shale with a depth of 60% in the Yushe-Wuxiang area. This study provides a valuable reference for the reservoir evaluation and favorable block search of MCT shale gas.

关键词： High-pressure methane adsorption Marine-continental transitional shale gas Ono-Kondo model Adsorption thermodynamics Gas storage capacity model

Water-oxidation intermediates enabling electrochemical propylene epoxidation

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Chinese Journal of Structural Chemistry 2024年第5期43卷 1-2页

作者： Yang Yang Jing-Li luo xian-Zhu Fu Shenzhen Key Laboratory of Energy Electrocatalytic Materials Guangdong Research Center for Interfacial Engineering of Functional MaterialsCollege of Materials Science and EngineeringShenzhen UniversityShenzhen518055China

In the production of propylene oxide(PO),reliance on hazardous chemical oxidants,such as molecular chlorine(Cl_(2))or peroxides,is a common practice.A promising alternative to current epoxidation methods involves a selective direct propylene epoxidation pathway utilizing water as the oxygen source through water-oxidation *** approach presents a robust substitute for existing epoxidation techniques.

关键词： propylene epoxidation intermediate

Investigation on cavitating turbulent flow for the twisted NACA66 hydrofoil using a PANS model with helicity modification

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Journal of Hydrodynamics 2024年第2期36卷 219-231页

作者： Chen Geng Zhao-hui Qian Ke-xin Zheng Wei-xiang Ye xian-wu luo State Key Laboratory of Hydroscience cand Engineering Deparment of Energy and Power EngineeringTsinghua UniversityBeijing 100084China Institute of Nuclear and New Energy Technology Tsinghua UniversityBeijing 100084China

In the present paper,the unsteady cavitating turbulent flow over the twisted NACA66 hydrofoil is investigated based on an modified shear stress transfer k-ωpartially averaged Navier-Stokes(MSST PANS)model,i.e.,new MSST PANS(NMSST PANS)model,where the production term of kinetic energy in the turbulence model is modified with *** with the experimental data,cavitation evolution and its characteristic frequency are satisfactorily predicted by the proposed NMSST PANS *** is revealed that the interaction among the main flow,the reentrant jets,and sheet cavitation causes the formation of the primary shedding cavity near the mid-span and the secondary shedding cavity at each side of the twisted hydrofoil,and further induces the remarkable pressure gradient around shedding *** with the development of the primary and the secondary shedding cavities,the great pressure gradient associated with large cavity volume variation promotes the vortical flow generation and the spatial deformation of vortex structure during cavitation evolution,and results in the primary and the secondary U-type ***,dynamic mode decomposition(DMD)analysis is utilized to confirm the interaction among the main flow,the main reentrant jet and two side reentrant jets,and *** results indicate that the proposed NMSST PANS model is suitable to simulate the complicated cavitating turbulent flow for various engineering applications.

关键词： Cavitating turbulent flow partially averaged Navier-Stokes(PANS)model hydrofoil numerical simulation