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Manipulating Na occupation and constructing protective film of P2-Na_(0.67)Ni_(0.33)Mn_(0.67)O_(2) as long-term cycle stability cathode for sodium-ion batteries

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Journal of Energy Chemistry 2024年第1期88卷 603-611,I0013页

作者： Yiran Sun Pengfei Zhou Siyu Liu Zhongjun Zhao Yihao Pan Xiangyan Shen Xiaozhong Wu Jinping Zhao Junying Weng Jin Zhou School of Chemistry and Chemical Engineering Shandong University of TechnologyZibo 0255000ShandongChina School of Materials science and Engineering Shandong University of TechnologyZibo 255049ShandongChina

P2-Na_(0.67)Ni_(0.33)Mn_(0.67)O_(2)(NNMO)is promising cathode material for sodium-ion batteries(SIBs)due to its high specific capacity and fast Na+diffusion ***,the irreversible P2-O_(2)phase transformation,Na+/vacancy ordering,and transition metal(TM)dissolution seriously damage its cycling stability and restrict its commercialization ***,Na occupation manipulation and interface stabilization are proposed to strengthen the phase structure of NNMO by synergistic Zn/Ti co-doping and introducing lithium difluorophosp(LiPO_(2)F_(2))film-forming electrolyte *** Zn/Ti co-doping regulates the occupancy ratio of Nae/Nafat Na sites and disorganizes the Na+/vacancy ordering,resulting in a faster Na+diffusion kinetics and reversible P2-Z phase transition for P2-Na_(0.67)Ni_(0.28)Zn_(0.05)Mn_(0.62)Ti_(0.05)O_(2)(NNZMTO).Meanwhile,the LiPO_(2)F_(2)additive can form homogeneous and ultrathin cathode-electrolyte interphase(CEI)on NNZMTO surface,which can stabilize the NNZMTO-electrolyte interface to prevent TM dissolution,surface structure transformation,and micro-crack *** studies of in situ and ex situ characterizations and theoretical calculations were used to elucidate the storage mechanism of NNZMTO with Li PO_(2)F_(2)*** a result,the NNZMTO displays outstanding capacity retention of 94.44%after 500 cycles at 1C with 0.3 wt%Li PO_(2)F_(2),excellent rate performance of 92.5 mA h g^(-1)at 8C with 0.1 wt%Li PO_(2)F_(2),and remarkable full cell *** work highlights the important role of manipulating Na occupation and constructing protective film in the design of layered materials,which provides a promising direction for developing high-performance cathodes for SIBs.

关键词： Layered cathode Zn/Ti co-doping Na occupation Electrolyte additive Sodium-ion batteries

Balanced Fracturing and Cold-welding of Magnesium during Ball Milling Assisted by Carbon Coating:Experimental and Molecular Dynamic Simulation

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Journal of Wuhan university of technology(Materials science) 2024年第4期39卷 895-903页

作者：韩宗盈 DONG Hui DING Guoyang ZHANG Jiale SONG Xiufang College of Energy Storage technology Shandong University of Science and TechnologyQingdao 266590China College of Chemical and Biological Engineering Shandong University of Science and TechnologyQingdao 266590China

The lignite-derived carbon from self-protection pyrolysis was employed to balance the fracturing and cold-welding of magnesium during ball *** size analysis indicates that the introduction of lignite-derived carbon can effectively reduce the particle size of Mg while the introduction of graphite does no ***,the effect of lignite-derived carbon on crystallite size reduction of Mg is also better than graphite.A moderate cold-welding phenomenon was observed after ball-milling Mg with the lignite-derived carbon,suggesting less Mg is wasted on the milling vials and *** dynamic simulations reveal that the balanced fracturing and cold-welding of magnesium during ball milling is mainly attributed to the special structure of the lignite-derived carbon:graphitized short-range ordered stacking function as dry lubricant and irregular shape/sharp edge function as milling *** preliminary findings in current study are expected to offer implications for designing efficient Mg-based hydrogen storage materials.

关键词： magnesium lignite-derived carbon cold-welding ball milling molecular dynamic

A New Method for Solving Nonlinear Partial Differential Equations Based on Liquid Time-Constant Networks

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Journal of Systems science & Complexity 2024年第2期37卷 480-493页

作者： SUN Jiuyun DONG Huanhe FANG Yong College of Mathematics and Systems science Shandong University of Science and TechnologyQingdao 266590China

In this paper,physics-informed liquid networks(PILNs)are proposed based on liquid time-constant networks(LTC)for solving nonlinear partial differential equations(PDEs).In this approach,the network state is controlled via ordinary differential equations(ODEs).The significant advantage is that neurons controlled by ODEs are more expressive compared to simple activation *** addition,the PILNs use difference schemes instead of automatic differentiation to construct the residuals of PDEs,which avoid information loss in the neighborhood of sampling *** this method draws on both the traveling wave method and physics-informed neural networks(PINNs),it has a better physical ***,the KdV equation and the nonlinear Schr¨odinger equation are solved to test the generalization ability of the *** the best of the authors’knowledge,this is the first deep learning method that uses ODEs to simulate the numerical solutions of PDEs.

关键词： Nonlinear partial differential equations numerical solutions physics-informed liquid networks physics-informed neural networks

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Hydrochemical insights on the signatures and genesis of water resources in a high-altitude city on the Qinghai-Xizang Plateau, South-west China

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Frontiers of Environmental science & Engineering 2024年第7期18卷 123-140页

作者： Jiutan Liu Kexin Lou Zongjun Gao Menghan Tan College of Earth science and Engineering Shandong University of Science and TechnologyQingdao 266590China

Water resources have crucial implications for the steady development of the urban social *** study investigated the hydrochemical signatures and genesis of water resources in the urban area of Lhasa City(UALC).To this end,several analyses,such as ion ratio analysis and correlation analysis,were performed by comprehensively applying mathematical statistics and integrated hydrochemical *** results show relatively low concentrations of major ions in the groundwater and surface water(GSW)of the *** primary anions and cations are HCO3-and Ca2+,reflecting the HCOg-Ca water ***,groundwater exhibits higher concentrations of key chemical components compared to surface *** are weakly alkaline,with pH values of 7.78 and 7.61,respectively,and they have low salinity with average concentrations of total dissolved solids being 190.74 and 112.17 mg/L,*** inputs have minimal influence on the hydrochemical features of GSw,whereas rock weathering is the dominant controlling ***,cation *** a significant *** influencing their hydrochemical *** to the isotope analysis(H and 180),the primary source of recharge for GSW is atmospheric precipitation,with some input from melted ice and ***,GSW samples from the UALC show relatively similar 2H and 18O isotopic compositions,indicating the existence of a discernible hydraulic connection linking the two water *** research findings can serve as a valuable scientific reference and foundation for the sustainable development,effective utilization,and proper safeguarding of regional water resources in high-altitude areas.

关键词： Groundwater and surface water Hydrochemical features Genesis mechanism Water quality Urban area of Lhasa City

Quantum control based on three forms of Lyapunov functions

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Chinese Physics B 2024年第4期33卷 216-222页

作者：俞国慧杨洪礼 College of Mathematics and Systems science Shandong University of Science and TechnologyQingdao 266590China

This paper introduces the quantum control of Lyapunov functions based on the state distance, the mean of imaginary quantities and state *** this paper, the specific control laws under the three forms are *** is analyzed by the La Salle invariance principle and the numerical simulation is carried out in a 2D test *** calculation process for the Lyapunov function is based on a combination of the average of virtual mechanical quantities, the particle swarm algorithm and a simulated annealing ***, a unified form of the control laws under the three forms is given.

关键词： quantum system Lyapunov function particle swarm optimization simulated annealing algorithms quantum control

An initial investigation of the non-isotropic feature of GNSS tropospheric delay

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Satellite Navigation 2024年第1期5卷 155-167页

作者： Ying Xu Zaozao Yang Hongzhan Zhou Fangzhao Zhang College of Geodesy and Geomatics Shandong University of Science and Technology579 Qianwangang RoadQingdao266590ShandongChina

Tropospheric delay is a significant error source in Global Navigation Satellite Systems(GNSS)*** Path Delay(SPD)is commonly derived by multiplying Zenith Tropospheric Delay(ZTD)with a mapping ***,mapping functions,assuming atmospheric isotropy,restrict the accuracy of derived *** improve the accuracy,a horizontal gradient correction is introduced to account for azimuth-dependent SPD variations,treating the atmosphere as *** study uncovers that,amidst atmospheric dynamics and spatiotemporal changes in moisture content,the SPD deviates from that based on traditional isotropy or anisotropy *** innovatively introduces the concept that SPD exhibits non-isotropy with respect to azimuth *** validation involves assessing SPD accuracy using three mapping functions at five International GNSS Service(IGS)stations,referencing the SPD with the ray-tracing *** subsequently evaluates the SPD accuracy with horizontal gradient correction based on Vienna Mapping Function 3(VMF3)***,the non-isotropic of SPD is analyzed through the ray-tracing *** results indicate the smallest residual(1.1–82.7 mm)between the SPDs with VMF3 and those with the ***,introducing horizontal gradient correction yields no significant improvement of SPD *** potential decimeter-level differences in SPD due to non-isotropic tropospheric delay across azimuth angles,a precise grasp and summary of these variations is pivotal for accurate tropospheric delay *** finding provides vital support for future high-precision tropospheric delay modeling.

关键词： Tropospheric delay GNSS Non-isotropy Mapping function Ray-tracing Horizontal gradient ERA5

Macro-micro behaviors and failure mechanism of frozen weakly cemented mudstone

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第4期16卷 1337-1347页

作者： Xianzhou Lyu Jijie Du Hao Fu Dawei Lyu Weiming Wang College of Earth science and Engineering Shandong University of Science and TechnologyQingdao266590China College of Civil Engineering and Architecture Shandong University of Science and TechnologyQingdao266590China

Understanding the mechanical properties and multiscale failure mechanism of frozen soft rock is an important prerequisite for the construction safety of tunnels,artificially frozen ground and other infrastructure in cold *** this study,the triaxial compression test are performed on mudstone in the weakly cemented soft rock strata in the mining area of western China,and the mechanical characteristics and failure mechanism of weakly cemented mudstone are systematically investigated under the combined action of freezing and ***,the quantitative relationship between the microstructural parameters and the macroscopic strength and deformation parameters is established based on fractal ***,the failure mechanism of frozen weakly cemented mudstone is revealed on both micro- and *** results show that temperature and confining pressure significantly affects the elastic modulus and peak strength of weakly cemented *** decreasing temperature,the compressive strength increases,while the corresponding peak strain decreases *** the deformation curve,the plastic deformation stage is shortened,and the brittle fracture feature at the post-peak stage is more prominent,and the elastic modulus correspondingly increases with decreasing *** low-temperature conditions,most of the weakly cemented mudstone undergoes microscopic shear failure along the main fracture *** micro-fracture morphology characteristics of weakly cemented mudstone under different temperatures are quantified via the fractal dimension,and an approximately exponential relationship can be obtained among the fractal dimension and the temperature,compressive strength and elastic modulus.

关键词： Weakly cemented mudstone Artificial freezing Mechanical properties Linkage destruction mechanism Fractal dimension

Defects and morphology engineering for constructing V_(s)-Ni_(3)S_(2)@V_(s)-Cu_(2)S nanotube heterojunction arrays toward efficient bifunctional electrocatalyst for overall water splitting

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Journal of Energy Chemistry 2024年第7期94卷 29-40页

作者： Wenyuan Sun Alan Meng Lei Wang Guicun Li Jinfeng Cui Yongkai Sun Zhenjiang Li College of Materials science and Engineering Qingdao University of Science and TechnologyQingdao 266042ShandongChina Key Laboratory of Optic-electric Sensing and Analytical Chemistryfor Life science MOE College of Chemistry and Molecular EngineeringQingdao Universityof Science and TechnologyQingdao 266042ShandongChina College of Environment and Safety Engineering Qingdao University of Science and TechnologyQingdao 266042ShandongChina Qingdao Huanghai university Qingdao 266000ShandongChina College of Electromechanical Engineering Qingdao University of Science and TechnologyQingdao 266061ShandongChina

The development of highly active,stable and inexpensive electrocatalysts for hydrogen production by defects and morphology engineering remains a great ***,S vacancies-rich Ni_(3)S_(2)@Cu_(2)S nan-otube heterojunction arrays were in-situ grown on copper foam(V_(s)-Ni_(3)S_(2)@V_(s)-Cu_(2)S NHAs/CF)for efficient electrocatalytic overall water *** the merits of nanotube arrays and efficient electronic mod-ulation drived by the OD vacancy defect and 2D heterojunction defect,the resultant V_(s)-Ni_(3)S_(2)@V_(s)-Cu_(2)S NHAs/CF electrocatalyst exhibits excellent electrocatalytic activity with a low overpotential of 47 mV for the hydrogen evolution reaction(HER)at 10 mA cm^(-2) current density,and 263 mV for the oxygen evolution reaction(OER)at 50 mA cm^(-2) current density,as well as a cell voltage of 1.48 V at 10 mA cm^(-2).Moreover,the nanotube heterojunction arrays endows V_(s)-Ni_(3)S_(2)@V_(s)-Cu_(2)S NHAs/CF with outstanding stability in long-term catalytic processes,as confirmed by the continuous chronopotentiom-etry tests at current densities of 10 mA cm^(-2) for 100 h.

关键词： Nanotubearrays Heterojunction Vacancy Bifunctional electrocatalyst Overall water splitting

Study of Pyrolysis Characteristics and Kinetic Analysis of Shenmu Coal at a High Heating Rate Using TG-FTIR

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China Petroleum Processing & Petrochemical technology 2024年第1期26卷 47-55页

作者： An Xiaoxi Zhang Yanpeng Shang Yanchao Tian Yuanyu Qiao Yingyun shandong university of science and technology Qingdao 266510ShandongChina China university of Petroleum(Huadong) Qingdao 266555ShandongChina

Coal pyrolysis is a fundamental reaction in the thermal processing and utilization of *** the behavior and kinetics of coal pyrolysis is crucial for optimizing,designing,and developing a composite riser for the staged pyrolysis gasification process of pulverized *** this study,the non-isothermal pyrolysis behavior and kinetics of coal were examined at different heating rates(30,50,100,300,500,700,and 900℃/min)using thermogravimetry(TG)coupled with Fourier-transform infrared *** of the TG/derivative TG(TG/DTG)curves indicated that coal pyrolysis mainly occurred between 300℃ and 700℃.Higher heating rates led to more volatiles being released from the coal,and a higher temperature was required to achieve rapid *** analysis showed that both the model-free methods(Friedman,Flynn-Wall-Ozawa,and Kissinger-Akahira-Sunose)and the model-based method(Coats-Redfern)effectively describe the coal pyrolysis *** change in the Ea values between the two kinetic models was consistent throughout the pyrolysis process,and the most probable mechanism was the F2 model(secondary chemical reaction).In addition,the heating rate did not change the overall reaction order of the pyrolysis process;however,a higher heating rate resulted in a decrease in the Ea value during the initial pyrolysis stage.

关键词： coal pyrolysis TG-FTIR characteristic parameters dynamics