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CFD-DEM simulation of fluorination reaction in fluidized beds with local grid and time refinement method

Particuology 2024年第1期84卷 145-157页

作者： Mofan Qiu Lin Jiang Rongzhen liu Yaping Tang Malin liu Institute of Nuclear and New Energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing100084China

The gas-solid reaction process with wide particle size distribution is extensively used in the chemical engineering field,especially the particle reacts with the gas gradually,such as fluorination reactions in fluidized *** the computational fluid dynamics-discrete element method(CFD-DEM)is used for the coupling simulation of multiphase and polydisperse particle reaction system,the grid size directly affects the accuracy of flow field information and simulation of chemical ***,particle calculation time step will directly affect the efficiency of coupling *** this work,a local grid and time step refinement method is proposed to simulate multiphase and polydisperse particle fluid-ization reaction *** this method,the refined DEM grids are automatically generated in the computational domain around the fine particles,and the detailed fluid phase information is obtained with the interpolation *** the two-phase coupling process,particles are divided into different groups based on physical properties,each group has its own independent time *** multistage conical-cylindrical spouted bed is proposed for the fluorination reaction process;the operating gas ve-locity range of the polydisperse particle system is extended by the new design while the particle size distribution changes with the gas-solid reaction *** is demonstrated that the local grid and time step refinement method can improve the accuracy and efficiency of the traditional CFD-DEM method in the reaction process simulation,which describes a polydisperse particle system with wide particle size *** at improving the simulation accuracy and efficiency,this paper will be helpful for simulating the particle reaction process in the gas-solid fluidized bed and beneficial for the development of the CFD-DEM method.

关键词： CFD-DEM Polydisperse particle Two-phase flow Fluidized bed

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Impact of Carbon Chain Structures in the Backbone on the Flexibility of Modified Polyarylene Sulfide Resins: Molecular Dynamics Simulations and Mesoscopic Analysis

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Chinese Journal of Polymer Science 2024年第4期42卷 544-557页

作者： Chi Zhang Rong liu Jing-Yuan liu Wen-Wei Jiang Key Laboratory of Fine Chemical Engineering and Functional Materials School of Chemical EngineeringSichuan UniversityChengdu610065China

In the domain of high-performance engineering polymers, the enhancement of mechanical flexibility in poly(phenylene sulfide) (PPS) resins has long posed a significant challenge. A novel molecular structure, designated as PP-He-IS, wherein imide rings and an aliphatic hexylene chain are covalently incorporated into the PPS backbone to enhance its flexibility, is introduced in this study. Molecular dynamics (MD) simulations are employed to systematically explore the effects of diversifying the backbone chain structures by substituting phenyl units with alkyl chains of varying lengths, referred to as PP-A-IS where “A” signifies the distinct intermediary alkyl chain configurations. Computational analyses reveal a discernable decrement in the glass transition temperature (Tg) and elastic modulus, counterbalanced by an increment in yield strength as the alkyl chain length is extended. Notably, the PP-He-IS variant is shown to exhibit superior yield strength while simultaneously maintaining reduced elastic modulus and Tg values, positioning it as an advantageous candidate for flexible PPS applications. Mesoscopic analyses further indicate that structures such as PP-He-IS, PP-Pe-IS, and PP-Bu-IS manifest remarkable flexibility, attributable to the presence of freely rotatable carbon-carbon single bonds. Experimental validation confirms that a melting temperature of 504 K which is lower than that of conventional PPS, and lower crystallinity are exhibited by PP-He-IS, thereby affording enhanced processability without compromising inherent thermal stability. Novel insights into the strategic modification of PPS for mechanical flexibility are thus furnished by this study, which also accentuates the pivotal role played by molecular dynamics simulations in spearheading high-throughput investigations in polymer material modifications.

关键词： Molecular dynamics simulations Polyarylene Sulfide Main-chain modifications Flexibility Aliphatic hexylene chain

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Peeling of Magneto-responsive Beams with Large Deformation Mediated by the Parallel Magnetic Field

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Acta Mechanica Solida Sinica 2024年第3期37卷 457-467页

作者： Gongqi Cao Zhangna Xue Shiyang liu Yuchen Jin Jianlin liu College of Pipeline and Civil Engineering China University of Petroleum(East China)Qingdao266580China

Elasto-capillarity phenomena are prevalent in various industrial fields such as mechanical engineering,material science,aerospace,soft robotics,and *** this study,two typical peeling processes of slender beams driven by the parallel magnetic field are investigated based on experimental and theoretical *** first is the adhesion of two parallel beams,and the second is the self-folding of a long *** these two cases,the energy variation method on the elastica is used,and then,the governing equations and transversality boundary conditions are *** is shown that the analytical solutions are in excellent agreement with the experimental *** effects of magnetic induction intensity,distance,and surface tension on the deflection curve and peeling length of the elastica are fully *** results are instrumental in accurately regulating elasto-capillarity in structures and provide insights for the engineering design of programmable microstructures on surfaces,microsensors,and bionic robots.

关键词： Magneto-responsive beam Adhesion and peeling Self-folding Elastica Transversality condition

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Accurate Source-Receiver Positioning Method for a High-Resolution Deep-Towed Multichannel Seismic Exploration System

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Journal of Ocean University of China 2024年第2期23卷 415-426页

作者： LI Jing liu Kai WEI Zhengrong ZHANG Liancheng liu Yangting PEI Yanliang liu Chenguang liu Baohua Key Laboratory of Marine Geology and Metallogeny First Institute of OceanographyMNRQingdao 266061China Laboratory for Marine Geology Laoshan LaboratoryQingdao 266061China College of Ocean Science and Engineering Shandong University of Science and TechnologyQingdao 266590China Key Laboratory of Fluid Transmission Technology of Zhejiang Province Zhejiang Sci-Tech UniversityHangzhou 310018China

The near-seabed multichannel seismic exploration systems have yielded remarkable successes in marine geological disaster assessment,marine gas hydrate investigation,and deep-sea mineral exploration owing to their high vertical and horizontal ***,the quality of deep-towed seismic imaging hinges on accurate source-receiver positioning *** light of existing technical problems,we propose a novel array geometry inversion method tailored for high-resolution deep-towed multichannel seismic exploration *** method is independent of the attitude and depth sensors along a deep-towed seismic streamer,accounting for variations in seawater velocity and seabed slope *** approach decomposes the towed line array into multiline segments and characterizes its geometric shape using the line segment distance and pitch *** optimization parameters for seawater velocity and seabed slope angle,we establish an objective function based on the model,yielding results that align with objective *** the particle swarm optimization algorithm enables synchronous acquisition of optimized inversion results for array geometry and seawater *** validation using theoretical models and practical data verifies that our approach effectively enhances source and receiver positioning inversion *** algorithm exhibits robust stability and reliability,addressing uncertainties in seismic traveltime picking and complex seabed topography conditions.

关键词： high-resolution deep-towed multichannel seismic exploration source-receiver positioning array geometry inversion seawater heterogeneity seabed slope angle

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Bioinspired 4D Printing Shape-Memory Polyurethane Rhinoplasty Prosthesis for Dynamic Aesthetic Adjustment

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Journal of Bionic Engineering 2024年第3期21卷 1397-1411页

作者： Jiaqi liu Guiwei Li He liu Jincheng Wang Hui Wang Xue Gao Qingping liu Chenyu Wang Department of Plastic and Reconstructive Surgery The First Hospital of Jilin UniversityChangchun130021China Department of Orthopaedics The Second Hospital of Jilin UniversityChangchun130041China Key Laboratory of Bionic Engineering(Ministry of Education) Jilin UniversityChangchun130022China

The disparity between the postoperative outcomes of rhinoplasty and the expected results frequently necessitates secondary or multiple surgeries as a compensatory measure,greatly diminishing patient ***,there is renewed optimism for addressing these challenges through the innovative realm of Four-Dimensional(4D)*** groundbreaking technology enables three-dimensional objects with shape-memory properties to undergo predictable transformations under specific external ***,implants crafted using 4D printing offer significant potential for dynamic *** by worms in our research,we harnessed 4D printing to fabricate a Shape-Memory Polyurethane(SMPU)for use as a nasal augmentation *** choice of SMPU was guided by its Glass Transition Temperature(Tg),which falls within the acceptable temperature range for the human *** attribute allowed for temperature-responsive intraoperative self-deformation and postoperative *** chosen animal model for experimentation was *** into account the anatomical structure of the rabbit nose,we designed and produced nasal augmentation prostheses with superior *** prostheses were then surgically implanted in a minimally invasive manner into the rabbit ***,they exhibited successful temperature-controlled in-surgery self-deformation according to the predetermined shape and non-invasive remodeling within a mere 9 days *** histological evaluations confirmed the practical viability of these prostheses in a living *** research findings posit that worm-inspired 4D-printed SMPU nasal prostheses hold significant promise for achieving dynamic aesthetic adjustments.

关键词： 4D printing Shape memory polyurethane Rhinoplasty Self-deformation Dynamic aesthetic adjustment

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Evolution of molecular structure of TATB under shock loading from transient Raman spectroscopic technique

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Defence Technology（防务技术） 2024年第3期33卷 613-620页

作者： Hongliang Kang Xue Yang Wenshuo Yuan Lei Yang Xinghan Li Fusheng liu Zhengtang liu Qijun liu Bond and Band Engineering Group School of Physical Science and TechnologySouthwest Jiaotong UniversityChengdu 610031China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi'an 710072China

By combination of the transient Raman spectroscopic measurement and the density functional theoretical calculations,the structural evolution and stability of TATB under shock compression was *** to the improvement in synchronization control between two-stage light gas gun and the transient Raman spectra acquisition,as well as the sample preparation,the Raman peak of the N-O mode of TATB was firstly observed under shock pressure up to 13.6 GPa,noticeably higher than the upper limit of 8.5 GPa reported in available *** taking into account of the continuous shift of the main peak and other observed Raman peaks,we did not distinguish any structural transition or any new ***,both the present Raman spectra and the time-resolved radiation of TATB during shock loading showed that TATB exhibits higher chemical stability than previous *** reveal the detailed structural response and evolution of TATB under compression,the density functional theoretical calculations were conducted,and it was found that the pressure make N-O bond lengths shorter,nitro bond angles larger,and intermolecular and intra-molecular hydrogen bond interactions *** observed red shift of Raman peak was ascribed to the abnormal enhancement of H-bound effect on the scissor vibration mode of the nitro group.

关键词： TATB Raman spectra Structural evolution Shock loading

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Effects of seepage pressure on the mechanical behaviors and microstructure of sandstone

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第6期16卷 2033-2051页

作者： Xuewei liu Juxiang Chen Bin liu Sai Wang Quansheng liu Jin Luo State Key Laboratory of Geomechanics and Geotechnical Engineering Institute of Rock and Soil MechanicsChinese Academy of SciencesWuhan430071China Faculty of Engineering China University of GeosciencesWuhan430074China Key Laboratory of Safety for Geotechnical and Structural Engineering of Hubei Province School of Civil EngineeringWuhan UniversityWuhan430072China

Surrounding rocks of underground engineering are subjected to long-term seepage pressure,which can deteriorate the mechanical properties and cause serious *** order to understand the impact of seepage pressure on the mechanical property of sandstone,uniaxial compression tests,P-wave velocity measurements,and nuclear magnetic resonance(NMR)tests were conducted on saturated sandstone samples with varied seepage pressures(i.e.0 MPa,3 MPa,4 MPa,5 MPa,6 MPa,7 MPa).The results demonstrate that the mechanical parameters(uniaxial compressive strength,peak strain,elastic modulus,and brittleness index),total energy,elastic strain energy,as well as elastic strain energy ratio,decrease with increasing seepage pressure,while the dissipation energy and dissipation energy ratio ***,as seepage pressure increases,the micro-pores gradually transform into meso-pores and *** increases the cumulative porosity of sandstone and decreases P-wave *** numerical results indicate that as seepage pressure rises,the number of tensile cracks increases progressively,the angle range of microcracks is basically from 50-120to 80-100,and as a result,the failure mode transforms to the tensile-shear mixed failure ***,the effects of seepage pressure on mechanical properties were *** results show that decrease in the effective stress and cohesion under the action of seepage pressure could lead to deterioration of strength behaviors of sandstone.

关键词： Rock mechanics Mechanical property Seepage pressure Numerical simulation Microcracks

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On electro-acoustic characteristics of a marine broadband sparker for seismic exploration

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Journal of Oceanology and Limnology 2024年第3期42卷 760-771页

作者： Jing LI Kai liu Liancheng ZHANG Chenguang liu Yanliang PEI Baohua liu Key Laboratory of Marine Geology and Metallogency First Institute of OceanographyMinistry of Natural ResourcesQingdao 266061China Laboratory of Marine Geology Laoshan LaboratoryQingdao 266237China Key Laboratory of Fluid Transmission Technology of Zhejiang Province Zhejiang Sci-Tech UniversityHangzhou 310018China Key Laboratory of Submarine Acoustic Investigation and Application of Qingdao(Preparatory) Qingdao 266061China Key Laboratory of Deep Sea Mineral Resources Development Shandong(Preparatory)Qingdao 266061China

The construction of major marine infrastructure projects and the exploration and development of deep-sea mineral resources require fine imaging of seabed strata and *** highresolution marine seismic exploration based on a high broadband sparker source is an important approach to reveal seabed stratum and reservoir structure,and identify *** optimize the performance of sparker seismic source,we investigated the electro-acoustic characteristics of spark discharge under conditions of different charging voltages and electrode *** show that the sound source level increased with the increase of the charging voltage,whereas the main frequency decreased when the charging voltage *** addition,it was found that the charging capacitance had more obvious influence on the main frequency than the sound source level *** the load energy decreased with increasing electrode number,the sound source level still increased but the main frequency ***,the primary to bubble(P/B)ratio increased with the increase of the electrode *** gain a deeper insight into the electro-acoustic characteristics,we investigate the relationship between sound source level and power peak,from which a good correlation was observed.A more practical statistical analysis on the rise rate of current was processed,and a perfect logarithmic function was ***,we found that the main frequency was most possibly subjected to the electrical energy,especially the charging energy per *** results indicate that the charging energy per electrode less than 10 J could increase the main frequency to above 300 *** last,the main frequency could be reduced to 20 Hz when the charging energy of a single-electrode discharge was enhanced to over 4 *** study shall be helpful in developing a sparker seismic source and improving the performance for marine engineering exploration and geohazard assessment.

关键词： high-resolution marine seismic exploration sparker seismic source sound source level main frequency electro-acoustic characteristics

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Performance of composite foundations with different load transfer platforms and substratum stiffness over silty clay

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Journal of Mountain Science 2024年第5期21卷 1761-1774页

作者： ZHANG Shuming liu Yan YUAN Shengyang liu Xianfeng JIANG Guanlu liu Junyan School of Civil Engineering and Architecture University of JinanJinan 250022China The Engineering Technology Research Center for Urban Underground Engineering Supporting and Risk Monitoring of Shandong Province Jinan 250022China School of Civil Engineering Southwest Jiaotong UniversityChengdu 610031China Key Laboratory of High-speed Railway Engineering Ministry of EducationSouthwest Jiaotong UniversityChengdu 610031China

The semi-rigid pile-supported composite foundation is widely used in highway projects due to its effectiveness in increasing the bearing capacity and stability of *** is crucial to understand the stress distribution across the embankment width and the behaviour of unreinforced ***,five centrifuge tests were conducted to examine the bearing and deformation behaviours of NPRS(Non-Connected Piled Raft Systems)and GRPS(GeosyntheticReinforced Pile-Supported systems)with varying substratum stiffness,then a comparative analysis was conducted on embankment settlement,pressures underneath the embankments,and axial forces along the *** results indicated that greater substratum stiffness correlates with reduced settlement and deformation at various *** occurring 5 meters from the embankment toe includes settlement in NPRS and upward movement in *** potential sliding surface is primarily located within the embankment in NPRS,whereas it may extend through both the embankment and foundation in *** pile-soil stress ratio and efficiency in NPRS are higher than in GRPS across the *** axial force borne by end-bearing piles is significantly greater than that by floating *** the buried depth increases,the axial force in GRPS initially rises then declines,whereas in NPRS,it remains relatively constant within a certain range before *** study aids in assessing the applicability of composite foundations in complex railway environments and provides a reference for procedural measures under similar conditions.

关键词： Centrifuge modelling Composite foundation Failure mode Load transfer platform Substratum Stiffness Silty clay

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Atomically precise Ru-O-Ru clusters for enhanced water dissociation in alkaline hydrogen evolution

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Nano Research 2024年第8期17卷 6993-7000页

作者： Dong liu Li Xu Sicheng Li Airong Xu Yuanhua Sun Tong liu Mengyuan liu Huijuan Wang Xiaokang liu Tao Yao Tao Ding Hefei National Research Center for Physical Sciences at the Microscale School of Nuclear Science and TechnologyKey Laboratory of Precision and Intelligent ChemistryNational Synchrotron Radiation LaboratoryUniversity of Science and Technology of ChinaHefei 230029China Experimental Center of Engineering and Materials Science University of Science and Technology of ChinaHefei 230026China

Atomic clusters typically exhibit distinctive electronic structures and physicochemical ***,as the size decreases,their ability to adsorb and dissociate water also diminishes,thereby affecting chemical reactions involving water *** the adsorption and dissociation capabilities of atomic clusters towards water molecules and elucidating the mechanisms underlying their performance enhancement have become important research ***,employing the carrier-anchored strategy,Ru-O-Ru atomic clusters were prepared and displayed excellent activity and durability in the hydrogen evolution ***,the Ru-O-Ru atomic clusters exhibited only 86 mV overpotential at 100 mA·cm−^(2) and superior membrane-electrode-assembly activity than commercial Ru/C *** radiation-based Fourier transform infrared spectroscopic measurements revealed that the modification of oxygen in Ru-O-Ru units promoted the reorientation of water molecules from a H-up orientation to H-down,therefore,enhanced the formation of strong hydrogen-bond network of interfacial water on the surface of Ru-O-Ru clusters,leading to enhanced adsorption and dissociation of water and accelerated Volmer *** findings provide a potential strategy and deep insights for the development of atomic clusters in electrocatalysts.

关键词： hydrogen evolution in-situ Fourier transform infrared(FTIR) Ru catalysts electrocatalysis atomic clusters

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