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Local th.rmal conductivity of inh.mogeneous nano-fluidic films:A density functional th.ory perspective

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Ch.nese Ph.sics B 2024年第4期33卷 594-603页

作者：孙宗利康艳霜康艳梅 Department of Math.matics and Ph.sics North China Electric Power UniversityBaoding 071003China College of science Hebei Agricultural UniversityBaoding 071001China h.bei Key Laboratory of Ph.sics and Energy Tech.ology Baoding 071003China University of International Relations Beijing 100091China

Combining th. mean field Pozh.r-Gubbins(PG)th.ory and th. weigh.ed density approximation,a novel meth.d for local th.rmal conductivity of inh.mogeneous fluids is *** correlation effect th.t is beyond th. mean field treatment is taken into account by th. simulation-based empirical *** application of th.s meth.d to confined argon in slit pore sh.ws th.t its prediction agrees well with.th. simulation results,and th.t it performs better th.n th. original PG th.ory as well as th. local averaged density model(LADM).In its furth.r application to th. nano-fluidic films,th. influences of fluid parameters and pore parameters on th. th.rmal conductivity are calculated and *** is found th.t both.th. local th.rmal conductivity and th. overall th.rmal conductivity can be significantly modulated by th.se ***,in th. supercritical states,th. th.rmal conductivity of th. confined fluid sh.ws positive correlation to th. bulk density as well as th. ***,wh.n th. bulk density is small,th. th.rmal conductivity exh.bits a decrease-increase transition as th. temperature is *** is also th. case in wh.ch.th. temperature is *** fact,th. decrease-increase transition in both.th. small-bulk-density and low-temperature cases arises from th. capillary condensation in th. ***,smaller pore width.and/or stronger adsorption potential can raise th. critical temperature for condensation,and th.n are beneficial to th. enh.ncement of th. th.rmal *** modulation beh.viors of th. local th.rmal conductivity lead immediately to th. significant difference of th. overall th.rmal conductivity in different ph.se regions.

关键词： th.rmal conductivity nano-fluidic films density functional th.ory

Boosted Lith.um-Ion Transport Kinetics in n-Type siloxene Anodes Enabled by selective Nucleoph.lic substitution of Ph.sph.rus

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Nano-Micro Letters 2024年第10期16卷 618-637页

作者： se In Kim Woong-Ju Kim Jin Gu kang Dong-Wan Kim sch.ol of Civil Environmental and Architectural EngineeringKorea University02841 SeoulSouth Korea Nanoph.tonics Research.Center Korea Institute of Science and Technology02792 SeoulSouth Korea

Doped two-dimensional(2D)materials h.ld significant promise for advancing many tech.ologies,such.as microelectronics,optoelectronics,and energy ***,n-type 2D oxidized si nanosh.ets,namely n-type siloxene(n-sX),are employed as Li-ion battery *** th.rmal evaporation of sodium h.poph.sph.te at 275℃,P atoms are effectively incorporated into siloxene(sX)with.ut compromising its 2D layered morph.logy and unique Kautsky-type crystal ***,selective nucleoph.lic substitution occurs,with.only si atoms being replaced by P atoms in th. O_(3)≡si-h.*** resulting n-sX possesses two delocalized electrons arising from th. presence of two electron donor types:(i)P atoms residing in si sites and(ii)h.*** doping concentrations are varied by controlling th. amount of precursors or th.ir mean free *** at 2000 mA g^(-1),th. n-sX electrode with.th. optimized doping concentration(6.7×10^(19) atoms cm^(-3))delivers a capacity of 594 mAh.g^(-1) with.a 73%capacity retention after 500 *** improvements originate from th. enh.nced kinetics of ch.rge transport processes,including electronic conduction,ch.rge transfer,and solid-state *** approach.proposed h.rein offers an unprecedented route for engineering sX anodes to boost Li-ion storage.

关键词： Li-ion battery Two-dimensional N-type siloxene Doping mech.nism Kinetics

CFD-DEM study on th. synergistic effect of coke consumption and particle dynamics in th. blast furnace raceway

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Particuology 2024年第6期89卷 270-278页

作者： Peng Xu Peng h.n Zh.jun h. Xizh.ng An kang sun Lih.a Gao Key Laboratory of Green Low-Carbon and Intelligent Metallurgy School of Materials and MetallurgyUniversity of Science and Technology LiaoningAnshan 114000China Key Laboratory for Ecological Metallurgy of Multimetallic Mineral of Ministry of Education School of MetallurgyNortheastern UniversityShenyang110819China

In th.s study,th. gas-solid flow process in th. blast furnace raceway is numerically simulated using coupled computational fluid dynamics and th. discrete element meth.d(CFD-DEM).Th. coke reaction kinetics data are imported into th. DEM model to reproduce th. consumption process of each.coke *** effects of inlet gas velocity and angle on th. morph.logy of th. raceway,coke consumption rate,coke bed temperature,and particle size distribution in th. blast process are systematically investigated and *** results sh.w th.t th. consumption of coke particles promotes th. formation of raceways during th. blast *** th. same time,a coke mixture layer is produced at th. edge of th. *** h.gh.r th. inlet gas velocity,th. th.cker th. coke mixture layer in th. middle and upper parts of th. raceway region,and th. larger th. proportion of small particles in th. coke mixture *** effect of th. inlet gas angle on th. raceway region is less th.n th. inlet gas ***,with.th. increase in th. inlet gas angle,th. h.gh.temperature region of th. coke bed extends downward gradually,wh.ch.is conducive to activating th. h.arth.

关键词： Blast furnace Raceway Multiph.se flow CFD-DEM Modeling

Molecular Ch.perone-Dependent Polymer Translocation th.ough.Nanopores: Th. Effects of Ch.perone Concentration and Ch.perone-Polymer Interaction

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Ch.nese Journal of Polymer science 2024年第1期42卷 125-132,I0011页

作者： Ch.ng-sh.ng Zuo kang Wang Li-Zh.n sun Ting-Ting sun Department of Ph.sics Zhejiang University of Science and TechnologyHangzhou 310023China Department of Applied Ph.sics Zhejiang University of TechnologyHangzhou 310014China

Th. polymer translocation th.ough.a nanopore from a donor space(or named cis side) to a receiver space(trans side) in th. ch.perone-induced crowded environment h.s attracted increasing attention in recent years due to its significance in biological systems and tech.ological applications. In th.s work, we mainly focus on th. effects of ch.perone concentration and ch.perone-polymer interaction on th. polymer translocation. By assuming th. polymer translocation to be a quasi-equilibrium process, th. free energy F of th. polymer can be estimated by Rosenbluth.Rosenbluth.meth.d and th.n th. translocation time τ can be calculated by Fokker-Plank equation based on th. obtained free energy landscape. Our calculation results sh.w th.t th. translocation time can be controlled by independently tuning th. ch.perone concentration and ch.perone-polymer interaction at th. cis side or th. trans side. Th.re exists a critical ch.perone-polymer attraction ε~*=-0.2 at wh.ch.th. volume exclusion and interaction effects of th. ch.perone can balance each.oth.r. Additionally, we also find th.t at large ch.perone-polymer attraction, th. translocation time is mainly governed by th. diffusion coefficient of th. polymer.

关键词： Polymer translocation Rosenbluth.Rosenbluth.meth.d Fokker-Plank equation Free energy landscapes

Recent Progress and Regulation strategies of Layered Materials as Cath.de of Aqueous Zinc-Ion Batteries

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Energy & Environmental Materials 2024年第3期7卷 14-31页

作者： Yuan Yuan si Wu Xiaoxue song Jin Yong Lee Baotao kang sch.ol of Ch.mistry and Ch.mical Engineering University of JinanJinan 250022China Department of Ch.mistry Sungkyunkwan UniversitySuwon 16419Korea sh.ndong h.-speed Engineering Test Co. Ltd.Jinan 250022China

Aqueous zinc-ion batteries(ZIBs)h.ve sh.wn great potential in th. fields of wearable devices,consumer electronics,and electric veh.cles due to th.ir h.gh.level of safety,low cost,and multiple electron *** layered cath.de materials of ZIBs h.ld a stable structure during ch.rge and disch.rge reactions owing to th. ultrafast and straigh.forward(de)intercalation-type storage mech.nism of Zn^(2+)ions in th.ir tunable interlayer spacing and th.ir abilities to accommodate oth.r guest ions or ***,th. ch.llenges of inadequate energy density,dissolution of active materials,uncontrollable byproducts,increased internal pressure,and a large de-solvation penalty h.ve been deemed an obstacle to th. development of *** th.s review,recent strategies on th. structure regulation of layered materials for aqueous zinc-ion energy storage devices are systematically ***,critical science ch.llenges and future outlooks are proposed to guide and promote th. development of advanced cath.de materials for ZIBs.

关键词： layered cath.de materials modifying strategies structure regulation zinc-ion batteries

A h.gh.Order Localized Artificial Diffusivity sch.me for Discontinuity Capturing on 1D Drift-Flux Models for Gas-Liquid Flows

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Advances in Applied Math.matics and Mech.nics 2024年第1期16卷 47-74页

作者： Adyllyson h.Nascimento Eugenio s.Rosa Department of Energy School of Mechanical EngineeringUniversity of CampinasCampinasBrazil

A computational code is developed for th. numerical solution of onedimensional transient gas-liquid flows using drift-flux models,in isoth.rmal and also with.ph.se ch.nge *** th.se two-ph.se models,classical upwind sch.mes such.as Roe-and Godunov-type sch.mes are generally difficult to derive and expensive to use,since th.re are no treatable analytic expressions for th. Jacobian matrix,eigenvalues and eigenvectors of th. system of *** th. oth.r h.nd,th. h.gh.rder compact finite difference sch.me becomes an attractive alternative on th.se occasions,as it does not make use of any wave propagation information from th. system of *** present paper extends th. localized artificial diffusivity meth.d for h.gh.order compact finite difference sch.mes to solve two-ph.se flows with.*** numerical meth.d h.s simple formulation,straigh.forward implementation,low computational cost and,most importantly,*** numerical meth.dology proposed is validated by solving several numerical examples given in th. *** simulations are sixth.order accurate and it is sh.wn th.t th. proposed numerical meth.d provides accurate approximations of sh.ck waves and contact *** is an essential property for simulations of realistic mass transport problems relevant to operations in th. petroleum industry。

关键词： Compressible two-ph.se flows drift-flux model localized artificial diffusivity h.gh.rder numerical meth.ds

Experimental study on th. Effect of Increased Downstroke Duration for an FWAV with.Morph.ng-coupled Wing Flapping Configuration

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Journal of Bionic Engineering 2024年第1期21卷 192-208页

作者： Ang Ch.n Bifeng song Zh.h.Wang kang Liu Dong Xue Xiaojun Yang sch.ol of Aeronautics Northwestern Polytechnical UniversityXi'an 710072China h.rbin Institute of Tech.ology Shenzhen 518055China

Th.s paper is based on a previously developed bio-inspired Flapping Wing Aerial Veh.cle(FWAV),RoboFalcon,wh.ch.can fly with.a morph.ng-coupled flapping *** th.s paper,a simple flapping stroke control system based on h.ll effect sensors is designed and applied,wh.ch.is capable of assigning different up-and down-stroke speeds for th. RoboFalcon platform to ach.eve an adjustable downstroke *** aerodynamic and power ch.racteristics of th. morph.ng-coupled flapping pattern and th. conventional flapping pattern with.varying downstroke ratios are measured th.ough.a wind tunnel experiment,and th. corresponding aerodynamic models are developed and analyzed by th. nonlinear least squares *** relatively low power consumption of th. slow-downstroke mode of th.s veh.cle is verified th.ough.outdoor fligh. *** results of wind tunnel experiments and fligh. tests indicate th.t increased downstroke duration can improve aerodynamic and power performance for th. RoboFalcon platform.

关键词： Flapping wing aerial veh.cle(FWAV) Downstroke ratio Bio-inspired design Morph.ng-coupled flapping

Two Monte Carlo-based simulators for imaging-system modeling and projection simulation of flat-panel X-ray source

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Nuclear science and Tech.iques 2024年第7期35卷 31-46页

作者： Meng-Ke Qi Ting h. Yi-Wen Zh.u Jing kang Zeng-Xiang Pan song kang Wang-Jiang Wu Jun Ch.n Ling-h.ng Zh.u Yuan Xu sch.ol of Biomedical Engineering Southern Medical UniversityGuangzhou510515China state Key Laboratory of Optoelectronic Materials and Tech.ologies Guangdong Province Key Laboratory of Display Material and TechnologySchool of Electronics and Information TechnologySun Yat-sen UniversityGuangzhou510275China Department of Radioth.rapy Guangdong Provincial People’s Hospital(Guangdong Academy of Medical Sciences)Southern Medical UniversityGuangzhou510515China

Th. advantages of a flat-panel X-ray source(FPXs)make it a promising candidate for imaging *** imaging-system modeling and projection simulation are critical for analyzing imaging performance and resolving overlapping projection issues in *** conventional analytical ray-tracing approach.is limited by th. number of patterns and is not applicable to FPXs-projection ***,th. computation time of Monte Carlo(MC)simulation is independent of th. size of th. patterned arrays in *** study proposes two h.gh.efficiency MC projection simulators for FPXs:a graph.cs processing unit(GPU)-based ph.se-space sampling MC(gPsMC)simulator and GPU-based fluence sampling MC(gFsMC)*** two simulators comprise th.ee components:imaging-system modeling,ph.ton initialization,and ph.sical-interaction simulations in th. ***-system modeling was performed by modeling th. FPXs,imaging geometry,and *** gPsMC simulator samples th. initial ph.tons from th. ph.se space,wh.reas th. gFsMC simulator performs ph.ton initialization from th. calculated energy spectrum and fluence *** entire process of ph.ton interaction with.th. geometry and arrival at th. detector was simulated in parallel using multiple GPU kernels,and projections based on th. two simulators were *** accuracies of th. two simulators were evaluated by comparing th.m with.th. conventional analytical ray-tracing approach.and acquired projections,and th. efficiencies were evaluated by comparing th. computation *** results of simulated and realistic experiments illustrate th. accuracy and efficiency of th. proposed gPsMC and gFsMC simulators in th. projection calculation of various ph.ntoms.

关键词： Flat-panel X-ray source(FPXs) Imaging-system modeling Projection simulation Monte Carlo-based simulators

superplasticity of fine-grained Mg-10Li alloy prepared by severe plastic deformation and understanding its deformation mech.nisms

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Journal of Magnesium and Alloys 2024年第1期12卷 316-331页

作者： h.T.Jeong s.W.Lee W.J.Kim Department of Materials science and Engineering Hongik UniversityMapo-guSangsu-dong 72-1Seoul 121-791Republic of Korea

Th. superplastic beh.vior and associated deformation mech.nisms of a fine-grained Mg-10.1 Li-0.8Al-0.6Zn alloy(LAZ1011)with.a grain size of 3.2μm,primarily composed of th. BCCβph.se and a small amount of th. h.Pαph.se,were examined in a temperature range of 473 K to 623 *** microstructural refinement of th.s alloy was ach.eved by employing h.gh.ratio differential speed *** best superplasticity was ach.eved at 523 K and at strain rates of 10^(-4)-5×10^(-4)s^(-1),wh.re tensile elongations of 550±600%were *** th. h.ating and h.lding stage of th. tensile samples prior to tensile loading,a significant increase in grain size was observed at temperatures above 573 ***,it was important to consider th.s effect wh.n analyzing and understanding th. superplastic deformation beh.vior and *** th. investigated strain rate range,th. superplastic flow at low strain rates was governed by lattice diffusion-controlled grain boundary sliding,wh.le at h.gh.strain rates,lattice diffusion-controlled dislocation climb creep was th. rate-controlling deformation *** was concluded th.t solute drag creep is unlikely to *** th. late stages of deformation at 523 K,it was observed th.t grain boundary sliding led to th. agglomeration of th.αph.se,resulting in significant strain *** mech.nism maps were constructed forβ-Mg-Li alloys in th. form of 2D and 3D formats as a function of strain rate,stress,temperature,and grain size,using th. constitutive equations for various deformation mech.nisms derived based on th. data of th. current tests.

关键词： Magnesium-lith.um alloy superplasticity severe plastic deformation Grain size Grain growth