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High-performance sodium storage for cobalt phosphide composite array electrodes

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Rare Metals 2024年第8期43卷 3724-3734页

作者： Man Zhang Xiao-xu Liu Tian-Yi ji Yang Li Da-Wei Sheng Shao-Dong Li Pei-Pei Ren ze-Xiang Shen School of Material Science and Engineering Shaanxi University of Science and TechnologyXi'an 710021China School of Physical and Mathematical Sciences Nanyang Technological UniversitySingapore 637371Singapore

Transition metal phosphides hold great potential as sodium-ion batteries anode materials owing to their high theoretical capacity and modest ***,volume changes and low intrinsic conductivity seriously largely hinder the further development of metal phosphide *** design of phosphide anode materials with reasonable structure is conducive to solving the problems of volume expansion and slow reaction kinetics during the *** this work,a composite material integrating zeolite imidazolate backbone(ZIF) and carbon materials was synthesized by the original growth ***,by the oxidation-phosphating process,CoP nanoarray composites riveted to carbon fiber(CoP@CF) were *** the CoP@CF,CoP nanoparticles are uniformly distributed on ZIF-derived carbon,reducing agglomeration and volume change during *** also provides a highly conductive network for the active material,improving the electrode ***,when evaluated as an anode for sodium-ion batteries,CoP@CF electrode displays enhanced reversible capacity(262 mAh·g^(-1) at 0.1 A·g^(-1)after 100 cycles),which is much better than that of pure CF electrode(57 mAh·g^(-1) at 0.1 A·g^(-1) after 100 cycles)prepared without the addition of *** rate performance of CoP@CF electrode is also superior to that of pure CF electrode at various current densities from 0.05 to1 A·g^(-1).The sodium storage behavior of CoP@CF was revealed by ex-situ X-ray photoelectron spectroscopy,X-ray diffraction,and synchrotron radiation absorption *** method provides a reference for the design and synthesis of anode materials in sodium-ion batteries.

关键词： Cobalt phosphide Array structure Freestanding anodes Sodium-ion batteries

Melt flow,heat transfer and solidification in a flexible thin slab continuous casting mold with vertical-combined electromagnetic braking

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Journal of Iron and Steel Research International 2024年第2期31卷 401-415页

作者： Lin xu ze-feng Han Christian Karcher En-gang Wang Key Laboratory of Electromagnetic Processing of Materials(Ministry of Education) Northeastern UniversityShenyang110819LiaoningChina Key Laboratory of Liaoning Province for Clean Combustion Power Generation and Heating Technology Shenyang Institute of EngineeringShenyang110136LiaoningChina Institute of Thermodynamics and Fluid Mechanics Technische Universität IlmenauIlmenau98684Germany

During continuous casting of steel slabs,the application of electromagnetic braking technology(EMBr)provides an effective tool to influence solidification by controlling the pattern of melt flow in the ***,the quality of the final product can be improved considerably.A new electromagnetic braking(EMBr)method,named vertical-combined electromagnetic braking(VC-EMBr),is proposed to be applied to a flexible thin slab casting(FTSC)*** evaluate the beneficial effects of the VC-EMBr,the melt flow,heat transfer,and solidification processes in the FTSC mold are studied by means of numerical *** detail,a Reynolds-averaged Navier–Stokes turbulence model together with an enthalpy-porosity approach was *** numerical findings are compared with respective simulations using the traditional *** results demonstrate that the application of the VC-EMBr contributes significantly to preventing relative slab *** contrast to the Ruler-EMBr,the additional vertical magnetic poles of the VC-EMBr preferentially suppress the direct impact of jet flow on the narrow face of FSTC mold and considerably diminish the level fluctuation near the meniscus *** instance,by applying a magnetic flux density of 0.3 T,the maximum amplitude of meniscus deflection reduces by about 80%.Moreover,the braking effect of the VC-EMBr effectively improves the homogeneity of temperature distribution in the upper recirculation region and increases the solidified shell thickness along the casting *** this basis,the newly proposed VC-EMBr shows a beneficial effect in preventing relative slab defects for FTSC thin slab continuous casting.

关键词： Electromagnetic braking Mold Melt flow Heat transfer Solidification

Soft coarse-grained particle model for particle-fluid systems

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Particuology 2024年第1期84卷 178-193页

作者： Yanhao Ye ji xu Wei Ge State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing100190China

By modeling a group of neighboring real particles as a single coarse-grained particle(CGP),discrete particle method(DPM)is now capable of simulating industrial-scale particle-fluid ***,a systematic approach to determine the CGP properties and develop their interaction models is still lacking,which casts uncertainty on the predictivity of the *** this study,collisions between predefined particle groups are analyzed to construct kernel functions for modeling the CGPs and then the model parameters are determined by equating the statistical properties of the CGPs and the real particles in the physical process *** approach is implemented for homogeneous cooling of granular gas,then demonstrated effective in simulating experimental fluidized beds.

关键词： Coarse-grain(CG) Discrete particle method(DPM) Fluidized bed Multi-scale simulation

Two-Qubit Geometric Gates Based on Ground-State Blockade of Rydberg Atoms

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Chinese Physics Letters 2022年第9期39卷 1-5页

作者： ji-ze xu Li-Na Sun J-F.Wei Y-L.Du Ronghui Luo Lei-Lei Yan M.Feng Shi-Lei Su School of Physics Zhengzhou UniversityZhengzhou 450001China State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Wuhan Institute of Physics and MathematicsInnovation Academy of Precision Measurement Science and TechnologyChinese Academy of SciencesWuhan 430071China Department of Physics Zhejiang Normal UniversityJinhua 321004China Research Center for Quantum Precision Measurement Guangzhou Institute of Industry TechnologyGuangzhou 511458China

We achieve the robust nonadiabatic holonomic two-qubit controlled gate in one step based on the groundstate blockade mechanism between two Rydberg atoms. By using the Rydberg-blockade effect and the Raman transition mechanism, we can produce the blockade effect of double occupation of the corresponding ground state,i.e., ground-state blockade, to encode the computational subspace into the ground state, thus effectively avoiding the spontaneous emission of the excited Rydberg state. On the other hand, the feature of geometric quantum computation independent of the evolutionary details makes the scheme robust to control errors. In this way,the controlled quantum gate constructed by our scheme not only greatly reduces the gate infidelity caused by spontaneous emission but is also robust to control errors.

关键词： state Rydberg quantum

Effects of acid-rock reaction on physical properties during CO_(2)-rich industrial waste gas(CO_(2)-rich IWG)injection in shale reservoirs

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Petroleum Science 2024年第1期21卷 272-285页

作者： Yi-Fan Wang jing Wang Hui-Qing Liu Xiao-Cong Lv ze-Min ji National Key Laboratory of Petroleum Resources and Engineering China University of PetroleumBeijing102249China MOE Key Laboratory of Petroleum Engineering China University of PetroleumBeijing102249China Research Institute of Exploration and Development PetroChinaBeijing100083China

"Carbon peaking and carbon neutrality"is an essential national strategy,and the geological storage and utilization of CO_(2)is a hot issue ***,due to the scarcity of pure CO_(2)gas sources in China and the high cost of CO_(2)capture,CO_(2)-rich industrial waste gas(CO_(2)-rich IWG)is gradually emerging into the public's ***_(2)has good adsorption properties on shale surfaces,but acidic gases can react with shale,so the mechanism of the CO_(2)-rich IWG-water-shale reaction and the change in reservoir properties will determine the stability of geological ***,based on the mineral composition of the Longmaxi Formation shale,this study constructs a thermodynamic equilibrium model of water-rock reactions and simulates the regularity of reactions between CO_(2)-rich IWG and shale *** results indicate that CO_(2)consumed 12%after reaction,and impurity gases in the CO_(2)-rich IWG can be dissolved entirely,thus demonstrating the feasibility of treating IWG through water-rock *** IWG inhibits the dissolution of CO_(2),the optimal composition of CO_(2)-rich IWG is 95%CO_(2)and 5%IWG when CO_(2)geological storage is the main *** contrast,when the main goal is the geological storage of total CO_(2)-rich IWG or impurity gas,the optimal CO_(2)-rich IWG composition is 50%CO_(2)and 50%*** the CO_(2)-rich IWG-water-shale reaction,temperature has less influence on the water-rock reaction,while pressure is the most important ***2 has the greatest impact on water-rock reaction in *** minerals,clay minerals such as illite and montmorillonite had a significant effect on water-rock *** overall reaction is dominated by precipitation and the volume of the rock skeleton has increased by 0.74 cm3,resulting in a decrease in shale porosity,which enhances the stability of CO_(2)geological storage to some *** the reaction between CO_(2)-rich IWG-water-shale at simulated temperatures and pressures,precipitation

关键词： CO_(2)-rich industrial waste gas Geological storage Acid-rock reaction Shale Geochemical modelling

Atomic-scale mechanism of effect of co-separation of elements at interface of ferrite and austenite on Cr-depleted zone of duplex stainless steel

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Journal of Iron and Steel Research International 2024年第3期31卷 710-718页

作者： Yan-hui Hou ze-kun xu Shi-long Zhou Guang-qiang Li The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan 430081HubeiChina Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education Wuhan University of Science and TechnologyWuhan 430081HubeiChina

Three-dimensional atom-probe tomography and first-principles calculation combined with density functional theory were used to study the effect of the co-segregation of different elements formed during the solidification process of S32205 duplex stainless steel on the Cr-depleted zone at the interface between ferrite and *** was found that the co-segregation of different elements formed during the solidification process of duplex stainless steel can also form Cr-depleted zone at the interface between ferrite and ***,Mo,Si,B,C and P atoms promote co-segregation with Cr atoms,which promotes the formation of Cr-depleted zone at the interface between ferrite and austenite in duplex stainless *** and Si strongly promote the segregation of Cr at the interface between ferrite and austenite,thereby promoting the formation of Cr-depleted zone.B,C and P elements also promote the segregation of Cr element at the interface between ferrite and austenite and the formation of Cr-depleted zone,but their effect is weaker than that of Mo and Si *** conclusions provide a new theoretical basis for improving the intergranular corrosion performance of duplex stainless steel.

关键词： Duplex stainless steel Cr-depleted zone Intergranular corrosion Co-segregation First-principles calculation

A monolithic integrated medium wave Mercury Cadmium Telluride polarimetric focal plane array

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JOURNAL OF INFRARED AND MILLIMETER WAVES 2024年第4期43卷 479-489页

作者： Chen, ze-ji Huang, You-Wen Pu, En-Xiang Xiao, Hui-Shan xu, Shi-Chun Qin, Qiang Kong, jin-Cheng Kunming Inst Phys Infrared Detector Ctr Kunming 650223 Peoples R China

A medium wave (MW) 640x512 (25 mu m) Mercury Cadmium Telluride (HgCdTe) polarimetric focal plane array (FPA) was demonstrated. The micro-polarizer array (MPA) has been carefully designed in terms of line grating structure optimization and crosstalk suppression. A monolithic fabrication process with low damage was explored, which was verified to be compatible well with HgCdTe devices. After monolithic integration of MPA, NETD zed MPA layouts were designed, and the crosstalk was experimentally validated as the major source that impacted ER. By expanding opaque regions at pixel edges to 4 mu m, crosstalk rates from adjacent pixels could be effectively reduced to approximately 2%, and promising ERs ranging from 17. 32 to 27. 41 were implemented.

关键词： infrared physics infrared polarimetric focal plane array monolithic integration Mercury Cadmium Telluride extinction ratio PERFORMANCE DESIGN

Highly selective and eco-friendly dihydroisoquinoline synthesis via Cu/Co synergistic catalysis in Cu NPs@MOFs catalyst under mild conditions

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Science China Chemistry 2024年第5期67卷 1561-1568页

作者： Peng-Fei Guo ze-Long Liang Yue-E jiao Hang xu Bin Zhao Key Laboratory of Advanced Energy Material Chemistry Renewable Energy Conversion and Storage CenterDepartment of ChemistryNankai UniversityTianjin 300071China

3,4-Dihydroisoquinoline(DHIQ)is an important precursor used in the production of drugs for treating cancer,HIV,Alzheimer's disease,*** studies on DHIQ synthesis show low catalytic selectivity due to the susceptible over-oxidation feedstock of1,2,3,4-tetrahydroisoquinoline(THIQ),which often requires alkali ***,it is desirable yet challenging to explore a highly selective and efficient oxydehydrogenation capacity for DHIQ synthesis under eco-friendly reaction ***,a novel framework 1 was synthesized,exhibiting 1D channels with the size of 4.6 A×9.6 A and high solvent/p H/thermal stability.A stable framework allows it to encapsulate Cu nanoparticles(NPs)to form Cu NPs@1-x(x=1,2,3,and 4)with varying loading amounts of Cu NPs at 2.0 wt%,3.0 wt%,4.0 wt%,and 6.0 wt%,*** NPs@1-3 could selectively catalyze the reaction from THIQ to DHIQ with a high selectivity of 98%and a recorded turnover frequency(TOF)of 22.1 h-1under eco-friendly mild *** corresponding catalytic activity can maintain at least five recyclings and can be further applied to gram-scale ***,the efficient preparation of DHIQ catalyzed by Cu NPs@1-3 could be realized even under air ***,the anticancer molecule precursor synthesis of 6,7-dimethoxy-3,4-dihydroisoquinoline was also selectively catalyzed by Cu NPs@*** investigations revealed that high catalytic performance can be attributed to the stable framework and the synergistic catalytic effect of the loaded Cu NPs and Co metal *** importantly,this work represents the first example of MOF catalysts for selectively thermo-catalytic DHIQ synthesis and demonstrates a simple approach to obtain efficient catalysts for selective oxydehydrogenation in the production of unsaturated compounds.

关键词： metal-organic frameworks Cu NPs@MOFs 3 4-dihydroisoquinoline selective oxydehydrogenation synergistic catalysis

Pressure transient characteristics of non-uniform conductivity fractured wells in viscoelasticity polymer flooding based on oil-water two-phase flow

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Petroleum Science 2024年第1期21卷 343-351页

作者： Yang Wang jia Zhang Shi-Long Yang ze-xuan xu Shi-Qing Cheng National Key Laboratory of Petroleum Resources and Engineering China University of Petroleum(Beijing)Beijing102249China

Polymer flooding in fractured wells has been extensively applied in oilfields to enhance oil *** contrast to water,polymer solution exhibits non-Newtonian and nonlinear behavior such as effects of shear thinning and shear thickening,polymer convection,diffusion,adsorption retention,inaccessible pore volume and reduced effective ***,the flux density and fracture conductivity along the hydraulic fracture are generally non-uniform due to the effects of pressure distribution,formation damage,and proppant *** this paper,we present an oil-water two-phase flow model that captures these complex non-Newtonian and nonlinear behavior,and non-uniform fracture characteristics in fractured polymer *** hydraulic fracture is firstly divided into two parts:high-conductivity fracture near the wellbore and low-conductivity fracture in the far-wellbore section.A hybrid grid system,including perpendicular bisection(PEBI)and Cartesian grid,is applied to discrete the partial differential flow equations,and the local grid refinement method is applied in the near-wellbore region to accurately calculate the pressure distribution and shear rate of polymer *** combination of polymer behavior characterizations and numerical flow simulations are applied,resulting in the calculation for the distribution of water saturation,polymer concentration and reservoir *** with the polymer flooding well with uniform fracture conductivity,this non-uniform fracture conductivity model exhibits the larger pressure difference,and the shorter bilinear flow period due to the decrease of fracture flow ability in the far-wellbore *** field case of the fall-off test demonstrates that the proposed method characterizes fracture characteristics more accurately,and yields fracture half-lengths that better match engineering reality,enabling a quantitative segmented characterization of the near-wellbore section with high fracture conductivity and th

关键词： Polymer flooding Non-Newtonian fluid Non-uniform fracture conductivity Two-phase flow Pressure transient analysis