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Revealing the role of electrode potential micro-environments in single Mn atoms for carbon dioxide and oxygen electrolysis

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Nano Research 2024年第9期17卷 7957-7966页

作者： Pengcheng liu anyi liu Kaili Wang Shuai Shi Mengmeng Jin Jingxiu liu Tao Qin Qian liu Xijun liu Jia He Tianjin Key Laboratory of Organic Solar Cells and Photochemical Conversion School of Chemistry and Chemical EngineeringInstitute of New-Energy Materials and Low-Carbon TechnologiesSchool of Materials Science and EngineeringTianjin University of TechnologyTianjin 300384China School of Chemistry and Chemical Engineering and Environmental Engineering Weifang UniversityWeifang 261061China Department of Electrical Engineering and Automation Luoyang Institute of Science and TechnologyLuoyang 471023China Institute for Advanced Study Chengdu UniversityChengdu 610106China State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures Guangxi Key Laboratory of Processing for Non-ferrous Metals and Featured MaterialsSchool of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China

Elucidation the relationship between electrode potentials and heterogeneous electrocatalytic reactions has attracted widespread *** we construct the well-defined Mn single-atom(MnSA)catalyst with four N-coordination through a simple thermal pyrolysis preparation method to investigate the electrode potential micro-environments effect on carbon dioxide reduction reactions(CO_(2)RR)and oxygen reduction reactions(ORR).MnSA catalysts generate higher CO production Faradaic efficiency of exceeding 90%at-0.9 V for CO_(2)RR and higher H_(2)O_(2)yield from 0.1 to 0.6 V with excellent ORR *** functional theory(DFT)calculations based on constant potential models were performed to study the mechanism of MnSA on CO_(2)*** thermodynamic energy barrier of CO_(2)RR is lowest at-0.9 V *** hydrogen electrode(RHE).Similar DFT calculations on the H_(2)O_(2)yield of ORR showed that the H_(2)O_(2)yield at 0.2 V was *** study provides a reasonable explanation for the role of electrode potential micro-environments.

关键词： electrode potential micro-environments Mn single-atom catalyst carbon dioxide reduction reaction oxygen reduction reaction constant potential models

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Experimental and numerical study on ignition and combustion characteristics of boron-magnesium composite powders

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Particuology 2024年第1期84卷 12-29页

作者： Shuyuan liu Luyang Han Hongmei liu Yingkai Song Linlin liu Songqi Hu Science and Technology on Combustion Internal Flow and Thermo-Structure LaboratoryNorthwestern Polytechnical UniversityXi'an710072China School of Mechanical Engineering and Rail Transit Changzhou UniversityChangzhou213164China Shanghai Institute of Space Propulsion Shanghai201112China Shanghai Engineering Research Center of Space Engine Shanghai201112China

A high-pressure laser ignition and combustion system with adjustable oxidizer gas atmosphere is established to investigate the ignition and combustion characteristics of boron-magnesium(BM)com-posite *** ignition and combustion model of BM powders is established and validated in the present *** results show that increasing water content,O_(2) content and Mg content all result in shorter ignition delay time of BM powders,among which the effect of water content is the most ***,ignition delay time increases as pressure *** combustion time decreases with increasing Mg content and ambient pressure but increases with water *** the increase of O_(2) content,combustion time of BM powders first increases and then decreases,which means a critical O_(2) content exists above which combustion time *** results show that there exists a trade-off between ignition and combustion performance of BM composite powders.

关键词： Boron magnesium powder Laser ignition Ignition and combustion model Reaction mechanism Numerical model

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CFD-DEM simulation of high density particles fluidization behaviors in 3D conical spouted beds

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Particuology 2024年第5期88卷 266-281页

作者： Lin Jiang Mofan Qiu Rongzheng liu Bing liu Youlin Shao Malin liu Institute of Nuclear and New Energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing 100084China

The spouted bed has been used in the coating process of high-density nuclear fuel *** particle fluidization behaviors in pseudo-2D and 3D spouted beds were simulated and *** effects of four independent variables(cone angle,particle density,inlet gas velocity,and particle loading)on particle fluidization behaviors in the 3D spouted bed were investigated *** cone angle effect on fluidization mechanism was studied quantitatively first time.A new fluidization quality index was proposed based on the particle entrainment principle,and an extreme value was obtained when the cone angle was 60°,considered to be the optimum value for the 3D conical spouted *** was indicated the gas–solid contact efficiency can be kept up if the gas velocity was proportional to ρ_(p)^(0.65) and N_(p)^(0.78) when the particle density or loading was *** results will be useful for geometry and operation parameters design of the 3D conical spouted bed and helpful for developing the fluidization mechanism of high-density particles.

关键词： Spouted bed High-density particle CFD-DEM Fluidization quality index Particle loading

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Control Strategies for Digital Twin Systems

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IEEE/CAA Journal of Automatica Sinica 2024年第1期11卷 170-180页

作者： Guo-Ping liu IEEE the Center for Control Science and Technology Southern University of Science and TechnologyShenzhen 518055China

With the continuous breakthrough in information technology and its integration into practical applications, industrial digital twins are expected to accelerate their development in the near future. This paper studies various control strategies for digital twin systems from the viewpoint of practical *** make full use of advantages of digital twins for control systems, an architecture of digital twin control systems, adaptive model tracking scheme, performance prediction scheme, performance retention scheme, and fault tolerant control scheme are proposed. Those schemes are detailed to deal with different issues on model tracking, performance prediction, performance retention, and fault tolerant control of digital twin systems. Also, the stability of digital twin control systems is analysed. The proposed schemes for digital twin control systems are illustrated by examples.

关键词： Digital twin control systems fault tolerant control model tracking performance prediction performance retention

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Relation Between the Eventual Continuity and the E-property for Markov-Feller Semigroups

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Acta Mathematicae Applicatae Sinica 2024年第1期40卷 1-16页

作者： Yong liu Zi-yu liu LMAM School of Mathematical SciencePeking UniversityBeijing100871China

We investigate some relations between two kinds of semigroup regularities, namely the e-property and the eventual continuity, both of which contribute to the ergodicity for Markov processes on Polish *** precisely, we prove that for Markov-Feller semigroup in discrete time and stochastically continuous MarkovFeller semigroup in continuous time, if there exists an ergodic measure whose support has a nonempty interior,then the e-property is satisfied on the interior of the support. In particular, it implies that, restricted on the support of each ergodic measure, the e-property and the eventual continuity are equivalent for the discrete-time and the stochastically continuous continuous-time Markov-Feller semigroups.

关键词： Markov-Feller semigroup ergodicity e-property eventual continuity

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Optimized the vanadium electrolyte with sulfate-phosphoric mixed acids to enhance the stable operation at high-temperature

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Frontiers of Chemical Science and Engineering 2024年第2期18卷 13-26页

作者： Ling Ge Tao liu Yimin Zhang Hong liu School of Resource and Environmental Engineering Wuhan University of Science and TechnologyWuhan 430081China State Environmental Protection Key Laboratory of Mineral Metallurgical Resources Utilization and Pollution Control Wuhan University of Science and TechnologyWuhan 430081China Hubei Collaborative Innovation Center for High Efficient Utilization of Vanadium Resources Wuhan University of Science and TechnologyWuhan 430081China Hubei Provincial Engineering Technology Research Center of High Efficient Cleaning Utilization for Shale Vanadium Resource Wuhan University of Science and TechnologyWuhan 430081China School of Resource and Environmental Engineering Wuhan University of TechnologyWuhan 430070China

Herein, the influence of the concentration design and comprehensive performance of the sulfate-phosphoric mixed acid system electrolyte is investigated to realize an electrolyte that maintains high energy density and stable operation at high temperatures. Static stability tests have shown that VOPO4 precipitation occurs only with vanadium(V) electrolyte. The concentration of vanadium ion of 2.0–2.2 mol·L^(–1), phosphoric acid of 0.10–0.15 mol·L^(–1), and sulfuric acid of 2.5–3.0 mol·L^(–1) are suitable for a vanadium redox flow battery in the temperature range from –20 to 50 ℃. The equations for predicting the viscosity and conductivity of electrolytes are obtained by the response surface method. The optimized electrolyte overcomes precipitation generation. It has 2.8 times higher energy density than the non-phosphate electrolyte, and a coulomb efficiency of 94.0% at 50 ℃. The sulfate-phosphoric mixed acid system electrolyte promotes the electrode reaction process, increases the current density, and reduces the resistance. This work systematically optimizes the concentrations of composition of positive and negative vanadium electrolytes with mixed sulfate-phosphoric acid. It provides a basis for the different valence states and comprehensive properties of sulfate-phosphoric mixed acid system vanadium electrolytes under extreme environments, guiding engineering applications.

关键词： all vanadium redox flow battery mixed-acid vanadium electrolyte concentration optimization response surface methodology high-temperature stability

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Synthesis of core-shell nanostructured SiO_(2)/TiO_(2)photocatalysts via atomic layer deposition in a fluidized bed with central tube

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Particuology 2024年第8期91卷 19-28页

作者： Wei liu Daoyin liu Zuyang Zhang Zhenkun Sun Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education School of Energy&EnvironmentSoutheast UniversityNanjing 210096China

Fluidized bed atomic layer deposition is an efficient technique for particle coating with precise control over the film thickness and uniformity at the *** this study,a fluidized bed with a central tube is designed,where the central tube has two roles:improve fluidization and deliver precursors *** synthesis of core-shell structured SiO_(2)/TiO_(2)nanoparticle catalysts for photodegradation of tetracycline hydrochloride(TC)is carried out using TiCl_(4)and H_(2)O as precursors at 180℃under atmospheric *** the combination of vibration and central tube,the segregation of agglomerate size along the bed height is weakened,and the prepared SiO_(2)/TiO_(2)nanoparticles show excellent photocatalytic degradation performance:the degradation efficiency on TC is 96%under 300 W xenon lamp irradiation for 60 *** mechanism of enhanced photocatalytic activity is due to the Ti-O-Si bonds generated at the interface,which increase the ability to absorb sunlight and accelerate the separation of holes and electrons.

关键词： SiO_(2)/TiO_(2)nanoparticles Fluidization Atomic layer deposition Photocatalysts Photocatalytic mechanism

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Graph Signal Reconstruction from Low-Resolution Multi-Bit Observations

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Chinese Journal of Electronics 2024年第1期33卷 153-160页

作者： Zhaoting liu Chen YU Yafeng WANG Shuchen liu School of Communication Engineering Hangzhou Dianzi University

Low hardware cost and power consumption in information transmission, processing and storage is an urgent demand for many big data problems, in which the high-dimensional data often be modelled as graph *** paper considers the problem of recovering a smooth graph signal by using its low-resolution multi-bit quantized observations. The underlying problem is formulated as a regularized maximum-likelihood optimization and is solved via an expectation maximization scheme. With this scheme, the multi-bit graph signal recovery(MB-GSR) is efficiently implemented by using the quantized observations collected from random subsets of graph nodes. The simulation results show that increasing the sampling resolution to 2 or 3 bits per sample leads to a considerable performance improvement, while the energy consumption and implementation costs remain much lower compared to the implementation of high resolution sampling.

关键词： Quantization (signal) Costs Power demand Simulation Energy resolution Signal sampling Signal reconstruction

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Cross-scale mechanical softening of Marcellus shale induced by CO_(2)-water-rock interactions using nanoindentation and accurate grain-based modeling

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Underground Space 2024年第6期19卷 26-46页

作者： Yiwei liu Quansheng liu Zhijun Wu Shimin liu Yong Kang Xuhai Tang School of Civil Engineering Wuhan UniversityWuhan 430072China Department of Energy and Mineral Engineering G3 Center and EMS Energy InstituteThe Pennsylvania State UniversityUniversity ParkPA 16802USA School of Power and Mechanical Engineering Wuhan UniversityWuhan 430072China

Mechanical softening behaviors of shale in CO_(2)-water–rock interaction are critical for shale gas exploitation and CO_(2)*** work investigated the cross-scale mechanical softening of shale triggered by CO_(2)-water–rock ***,the mechanical softening of shale following 30 d of exposure to CO_(2)and water was assessed at the rock-forming mineral scale using *** mechanical alterations of rock-forming minerals,including quartz,muscovite,chlorite,and kaolinite,were analyzed and ***,an accurate grain-based modeling(AGBM)was proposed to upscale the nanoindentation *** models were generated based on the real microstructure of shale derived from TESCAN integrated minerals analyzer(TIMA)digital *** parameters of shale minerals determined by nanoindentation served as input material properties for ***,numerical simulations of uniaxial compression tests were conducted to investigate the impact of mineral softening on the macroscopic Young’s modulus and uniaxial compressive strength(UCS)of *** results present direct evidence of shale mineral softening during CO_(2)-water–rock interaction and explore its influence on the upscale mechanical properties of *** paper offers a microscopic perspective for comprehending CO_(2)-water-shale interactions and contributes to the development of a cross-scale mechanical model for shale.

关键词： Shale Cross-scale modeling Nanoindentation CO_(2)-water-rock interaction Mechanical softening

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Modulation mechanism of electron energy dissipation on superlubricity based on fluorinated 2D ZIFs

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Nano Research 2024年第4期17卷 3198-3209页

作者： Yuxin Li Lei liu Kunpeng Wang Yuhong liu State Key Laboratory of Tribology in Advanced Equipment Tsinghua UniversityBeijing 100084China School of Mechatronic Engineering Shanghai UniversityShanghai 200444China

Electron energy dissipation is an important energy dissipation pathway that cannot be ignored in friction ***-dimensional zeolite imidazole frameworks(2D ZIFs)and fluorine doping strategies give 2D Zn-ZIF and 2D Co-ZIF unique electrical properties,making them ideal materials for studying electron energy dissipation *** this paper,based on the superlubricity modulation of 2D fluoridated ZIFs,the optimal tribological properties are obtained on the 2D F-Co-ZIF surface,with the friction coefficient as low as *** experiments,density functional theory(DFT)simulation,and fluorescence detection are used to explain the mechanism of fluorine doping regulation of tribological properties from the two stages,namely energy transfer and energy ***,the energy will transfer into the friction system through the generation of electron–hole pairs under an external excitation,and release by radiation and non-radiation energy dissipation *** reduces energy transfer by altering the electronic properties and band structures of ZIFs,and slows down the charge transfer by enhancing the shielding efficiency,thus slowing the non-radiative energy dissipation rate during the energy release *** insights not only help us better understand the role of fluorine doping in improving tribological properties,but also provide a new way to further explore the electron energy dissipation pathway during friction.

关键词： superlubricity electron energy dissipation modulation two-dimensional zeolite imidazole frameworks(2D ZIFs) fluorination

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