This work constructed a machine learning(ML)model to predict the atmospheric corrosion rate of low-alloy steels(LAS).The material properties of LAS,environmental factors,and exposure time were used as the input,while ...This work constructed a machine learning(ML)model to predict the atmospheric corrosion rate of low-alloy steels(LAS).The material properties of LAS,environmental factors,and exposure time were used as the input,while the corrosion rate as the output.6 dif-ferent ML algorithms were used to construct the proposed model.Through optimization and filtering,the eXtreme gradient boosting(XG-Boost)model exhibited good corrosion rate prediction accuracy.The features of material properties were then transformed into atomic and physical features using the proposed property transformation approach,and the dominant descriptors that affected the corrosion rate were filtered using the recursive feature elimination(RFE)as well as XGBoost methods.The established ML models exhibited better predic-tion performance and generalization ability via property transformation descriptors.In addition,the SHapley additive exPlanations(SHAP)method was applied to analyze the relationship between the descriptors and corrosion rate.The results showed that the property transformation model could effectively help with analyzing the corrosion behavior,thereby significantly improving the generalization ability of corrosion rate prediction models.展开更多
The high-resolution DEM-IMB-LBM model can accurately describe pore-scale fluid-solid interactions,but its potential for use in geotechnical engineering analysis has not been fully unleashed due to its prohibitive comp...The high-resolution DEM-IMB-LBM model can accurately describe pore-scale fluid-solid interactions,but its potential for use in geotechnical engineering analysis has not been fully unleashed due to its prohibitive computational costs.To overcome this limitation,a message passing interface(MPI)parallel DEM-IMB-LBM framework is proposed aimed at enhancing computation efficiency.This framework utilises a static domain decomposition scheme,with the entire computation domain being decomposed into multiple subdomains according to predefined processors.A detailed parallel strategy is employed for both contact detection and hydrodynamic force calculation.In particular,a particle ID re-numbering scheme is proposed to handle particle transitions across sub-domain interfaces.Two benchmarks are conducted to validate the accuracy and overall performance of the proposed framework.Subsequently,the framework is applied to simulate scenarios involving multi-particle sedimentation and submarine landslides.The numerical examples effectively demonstrate the robustness and applicability of the MPI parallel DEM-IMB-LBM framework.展开更多
Multifield coupling is frequently encountered and also an active area of research in geotechnical engineering.In this work,a particle-resolved direct numerical simulation(PR-DNS)technique is extended to simulate parti...Multifield coupling is frequently encountered and also an active area of research in geotechnical engineering.In this work,a particle-resolved direct numerical simulation(PR-DNS)technique is extended to simulate particle-fluid interaction problems involving heat transfer at the grain level.In this extended technique,an immersed moving boundary(IMB)scheme is used to couple the discrete element method(DEM)and lattice Boltzmann method(LBM),while a recently proposed Dirichlet-type thermal boundary condition is also adapted to account for heat transfer between fluid phase and solid particles.The resulting DEM-IBM-LBM model is robust to simulate moving curved boundaries with constant temperature in thermal flows.To facilitate the understanding and implementation of this coupled model for non-isothermal problems,a complete list is given for the conversion of relevant physical variables to lattice units.Then,benchmark tests,including a single-particle sedimentation and a two-particle drafting-kissing-tumbling(DKT)simulation with heat transfer,are carried out to validate the accuracy of our coupled technique.To further investigate the role of heat transfer in particle-laden flows,two multiple-particle problems with heat transfer are performed.Numerical examples demonstrate that the proposed coupling model is a promising high-resolution approach for simulating the heat-particle-fluid coupling at the grain level.展开更多
Deformable catalytic material with excellent flexible structure is a new type of catalyst that has been applied in various chemical reactions,especially electrocatalytic hydrogen evolution reaction(HER).In recent year...Deformable catalytic material with excellent flexible structure is a new type of catalyst that has been applied in various chemical reactions,especially electrocatalytic hydrogen evolution reaction(HER).In recent years,deformable catalysts for HER have made great progress and would become a research hotspot.The catalytic activities of deformable catalysts could be adjustable by the strain engineering and surface reconfiguration.The surface curvature of flexible catalytic materials is closely related to the electrocatalytic HER properties.Here,firstly,we systematically summarized self-adaptive catalytic performance of deformable catalysts and various micro–nanostructures evolution in catalytic HER process.Secondly,a series of strategies to design highly active catalysts based on the mechanical flexibility of lowdimensional nanomaterials were summarized.Last but not least,we presented the challenges and prospects of the study of flexible and deformable micro–nanostructures of electrocatalysts,which would further deepen the understanding of catalytic mechanisms of deformable HER catalyst.展开更多
The concentration difference in the near-surface region of lithium metal is the main cause of lithium dendrite growth.Resolving this issue will be key to achieving high-performance lithium metal batteries(LMBs).Herein...The concentration difference in the near-surface region of lithium metal is the main cause of lithium dendrite growth.Resolving this issue will be key to achieving high-performance lithium metal batteries(LMBs).Herein,we construct a lithium nitrate(LiNO_(3))-implanted electroactiveβphase polyvinylidene fluoride-co-hexafluoropropylene(PVDF-HFP)crystalline polymorph layer(PHL).The electronegatively charged polymer chains attain lithium ions on the surface to form lithium-ion charged channels.These channels act as reservoirs to sustainably release Li ions to recompense the ionic flux of electrolytes,decreasing the growth of lithium dendrites.The stretched molecular channels can also accelerate the transport of Li ions.The combined effects enable a high Coulombic efficiency of 97.0%for 250 cycles in lithium(Li)||copper(Cu)cell and a stable symmetric plating/stripping behavior over 2000 h at 3 mA cm^(-2)with ultrahigh Li utilization of 50%.Furthermore,the full cell coupled with PHL-Cu@Li anode and Li Fe PO_(4) cathode exhibits long-term cycle stability with high-capacity retention of 95.9%after 900 cycles.Impressively,the full cell paired with LiNi_(0.87)Co_(0.1)Mn_(0.03)O_(2)maintains a discharge capacity of 170.0 mAh g^(-1)with a capacity retention of 84.3%after 100 cycles even under harsh condition of ultralow N/P ratio of 0.83.This facile strategy will widen the potential application of LiNO_(3)in ester-based electrolyte for practical high-voltage LMBs.展开更多
The C.oleifera oil processing industry generates large amounts of solid wastes,including C.oleifera shell(COS)and C.oleifera cake(COC).Distinct from generally acknowledged lignocellulosic biomass(corn stover,bamboo,bi...The C.oleifera oil processing industry generates large amounts of solid wastes,including C.oleifera shell(COS)and C.oleifera cake(COC).Distinct from generally acknowledged lignocellulosic biomass(corn stover,bamboo,birch,etc.),Camellia wastes contain diverse bioactive substances in addition to the abundant lignocellulosic components,and thus,the biorefinery utilization of C.oleifera processing byproducts involves complicated processing technologies.This reviewfirst summarizes various technologies for extracting and converting the main components in C.oleifera oil processing byproducts into value-added chemicals and biobased materials,as well as their potential applications.Microwave,ultrasound,and Soxhlet extractions are compared for the extraction of functional bioactive components(tannin,flavonoid,saponin,etc.),while solvothermal conversion and pyrolysis are discussed for the conversion of lignocellulosic components into value-added chemicals.The application areas of these chemicals according to their properties are introduced in detail,including utilizing antioxidant and anti-in-flammatory properties of the bioactive substances for the specific application,as well as drop-in chemicals for the substitution of unrenewable fossil fuel-derived products.In addition to chemical production,biochar fabricated from COS and its applications in thefields of adsorption,supercapacitor,soil remediation and wood composites are comprehensively reviewed and discussed.Finally,based on the compositions and structural characteristics of C.oleifera byproducts,the development of full-component valorization strategies and the expansion of the appli-cationfields are proposed.展开更多
Research on discrete memristor-based neural networks has received much attention.However,current research mainly focuses on memristor–based discrete homogeneous neuron networks,while memristor-coupled discrete hetero...Research on discrete memristor-based neural networks has received much attention.However,current research mainly focuses on memristor–based discrete homogeneous neuron networks,while memristor-coupled discrete heterogeneous neuron networks are rarely reported.In this study,a new four-stable discrete locally active memristor is proposed and its nonvolatile and locally active properties are verified by its power-off plot and DC V–I diagram.Based on two-dimensional(2D)discrete Izhikevich neuron and 2D discrete Chialvo neuron,a heterogeneous discrete neuron network is constructed by using the proposed discrete memristor as a coupling synapse connecting the two heterogeneous neurons.Considering the coupling strength as the control parameter,chaotic firing,periodic firing,and hyperchaotic firing patterns are revealed.In particular,multiple coexisting firing patterns are observed,which are induced by different initial values of the memristor.Phase synchronization between the two heterogeneous neurons is discussed and it is found that they can achieve perfect synchronous at large coupling strength.Furthermore,the effect of Gaussian white noise on synchronization behaviors is also explored.We demonstrate that the presence of noise not only leads to the transition of firing patterns,but also achieves the phase synchronization between two heterogeneous neurons under low coupling strength.展开更多
The brain is a complex network system in which a large number of neurons are widely connected to each other and transmit signals to each other.The memory characteristic of memristors makes them suitable for simulating...The brain is a complex network system in which a large number of neurons are widely connected to each other and transmit signals to each other.The memory characteristic of memristors makes them suitable for simulating neuronal synapses with plasticity.In this paper,a memristor is used to simulate a synapse,a discrete small-world neuronal network is constructed based on Rulkov neurons and its dynamical behavior is explored.We explore the influence of system parameters on the dynamical behaviors of the discrete small-world network,and the system shows a variety of firing patterns such as spiking firing and triangular burst firing when the neuronal parameterαis changed.The results of a numerical simulation based on Matlab show that the network topology can affect the synchronous firing behavior of the neuronal network,and the higher the reconnection probability and number of the nearest neurons,the more significant the synchronization state of the neurons.In addition,by increasing the coupling strength of memristor synapses,synchronization performance is promoted.The results of this paper can boost research into complex neuronal networks coupled with memristor synapses and further promote the development of neuroscience.展开更多
Synaptic crosstalk is a prevalent phenomenon among neuronal synapses,playing a crucial role in the transmission of neural signals.Therefore,considering synaptic crosstalk behavior and investigating the dynamical behav...Synaptic crosstalk is a prevalent phenomenon among neuronal synapses,playing a crucial role in the transmission of neural signals.Therefore,considering synaptic crosstalk behavior and investigating the dynamical behavior of discrete neural networks are highly necessary.In this paper,we propose a heterogeneous discrete neural network(HDNN)consisting of a three-dimensional KTz discrete neuron and a Chialvo discrete neuron.These two neurons are coupled mutually by two discrete memristors and the synaptic crosstalk is considered.The impact of crosstalk strength on the firing behavior of the HDNN is explored through bifurcation diagrams and Lyapunov exponents.It is observed that the HDNN exhibits different coexisting attractors under varying crosstalk strengths.Furthermore,the influence of different crosstalk strengths on the synchronized firing of the HDNN is investigated,revealing a gradual attainment of phase synchronization between the two discrete neurons as the crosstalk strength decreases.展开更多
Memristor-based chaotic systems with infinite equilibria are interesting because they generate extreme multistability.Their initial state-dependent dynamics can be explained in a reduced-dimension model by converting ...Memristor-based chaotic systems with infinite equilibria are interesting because they generate extreme multistability.Their initial state-dependent dynamics can be explained in a reduced-dimension model by converting the incremental integration of the state variables into system parameters.However,this approach cannot solve memristive systems in the presence of nonlinear terms other than the memristor term.In addition,the converted state variables may suffer from a degree of divergence.To allow simpler mechanistic analysis and physical implementation of extreme multistability phenomena,this paper uses a multiple mixed state variable incremental integration(MMSVII)method,which successfully reconstructs a four-dimensional hyperchaotic jerk system with multiple cubic nonlinearities except for the memristor term in a three-dimensional model using a clever linear state variable mapping that eliminates the divergence of the state variables.Finally,the simulation circuit of the reduced-dimension system is constructed using Multisim simulation software and the simulation results are consistent with the MATLAB numerical simulation results.The results show that the method of MMSVII proposed in this paper is useful for analyzing extreme multistable systems with multiple higher-order nonlinear terms.展开更多
As opposed to the prototypical MoS2 with centroasymmetry,Janus ferrovalley materials such as H-VSSe are less symmetric with the mirror symmetry and time reversal symmetry broken,and hence possess spontaneous valley po...As opposed to the prototypical MoS2 with centroasymmetry,Janus ferrovalley materials such as H-VSSe are less symmetric with the mirror symmetry and time reversal symmetry broken,and hence possess spontaneous valley polarization and strong ferroelasticity.The optical transition is an important means to excite the valley carriers.We investigate the optical spectrum of H-VSSe by using the many-body perturbation-based GW approach and solving the Bethe–Salpeter equation(BSE)to include the electron–hole interactions.It is found that after the GW correction,the band gaps of the quasiparticle bands are much larger than those obtained by the normal density functional theory.The system is ferromagnetic and the valley gaps become non-degenerate due to spin–orbit coupling(SOC).The position of the lowest BSE peak is much lower than the quasiparticle band gap,indicating that the excitonic effect is large.The peak is split into two peaks by the SOC.The binding energy difference between these two BSE peaks is about the same as the difference between the inequivalent valley gaps.Our results show that in Janus H-VSSe the two lowest exciton peaks are from the two inequivalent valleys with different gaps,in contrast to the A and B exciton peaks of MoS2 which are from the same valley.展开更多
Transfer learning could reduce the time and resources required by the training of new models and be therefore important for generalized applications of the trainedmachine learning algorithms.In this study,a transfer l...Transfer learning could reduce the time and resources required by the training of new models and be therefore important for generalized applications of the trainedmachine learning algorithms.In this study,a transfer learningenhanced convolutional neural network(CNN)was proposed to identify the gross weight and the axle weight of moving vehicles on the bridge.The proposed transfer learning-enhanced CNN model was expected to weigh different bridges based on a small amount of training datasets and provide high identification accuracy.First of all,a CNN algorithm for bridge weigh-in-motion(B-WIM)technology was proposed to identify the axle weight and the gross weight of the typical two-axle,three-axle,and five-axle vehicles as they crossed the bridge with different loading routes and speeds.Then,the pre-trained CNN model was transferred by fine-tuning to weigh themoving vehicle on another bridge.Finally,the identification accuracy and the amount of training data required were compared between the two CNN models.Results showed that the pre-trained CNN model using transfer learning for B-WIM technology could be successfully used for the identification of the axle weight and the gross weight for moving vehicles on another bridge while reducing the training data by 63%.Moreover,the recognition accuracy of the pre-trained CNN model using transfer learning was comparable to that of the original model,showing its promising potentials in the actual applications.展开更多
Kenics static mixers(KSM)are extensively used in industrial mixing-reaction processes by virtue of high mixing efficiency,low power homogenization and easy continuous production.Resolving liquid droplet size and its d...Kenics static mixers(KSM)are extensively used in industrial mixing-reaction processes by virtue of high mixing efficiency,low power homogenization and easy continuous production.Resolving liquid droplet size and its distribution and thus revealing the dispersion characteristics are of great significance for structural optimization and process intensification in the KSM.In this work,a computational fluid dynamics-population balance model(CFD-PBM)coupled method is employed to systematically investigate the effects of operating conditions and structural parameters of KSM on droplet size and its distribution,to further reveal the liquid-liquid dispersion characteristics.Results indicate that higher Reynolds numbers or higher dispersed phase volume fractions increase energy dissipation,reducing Sauter mean diameter(SMD)of dispersed phase droplets and with a shift in droplet size distribution(DSD)towards smaller size.Smaller aspect ratios,greater blade twist and assembly angles amplify shear rate,leading to smaller droplet size and a narrower DSD in the smaller range.The degree of impact exerted by the aspect ratio is notably greater.Notably,mixing elements with different spin enhance shear and stretching efficiency.Compared to the same spin,SMD becomes 3.7-5.8 times smaller in the smaller size range with a significantly narrower distribution.Taking into account the pressure drop and efficiency in a comprehensive manner,optimized structural parameters for the mixing element encompass an aspect ratio of 1-1.5,a blade twist angle of 180°,an assembly angle of 90°,and interlaced assembly of adjacent elements with different spin.This work provides vital theoretical underpinning and future reference for enhancing KSM performance.展开更多
Grasping the underlying mechanisms behind the low lattice thermal conductivity of materials is essential for the efficient design and development of high-performance thermoelectric materials and thermal barrier coatin...Grasping the underlying mechanisms behind the low lattice thermal conductivity of materials is essential for the efficient design and development of high-performance thermoelectric materials and thermal barrier coating materials.In this paper,we present a first-principles calculations of the phonon transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs monolayers.Both materials possess low lattice thermal conductivity,at least two orders of magnitude lower than graphene and h-BN.The room temperature thermal conductivity of Pb_(2)SbAs(0.91 W/m K)is only a quarter of that of Pb_(2)PAs(3.88 W/m K).We analyze in depth the bonding,lattice dynamics,and phonon mode level information of these materials.Ultimately,it is determined that the synergistic effect of low group velocity due to weak bonding and strong phonon anharmonicity is the fundamental cause of the intrinsic low thermal conductivity in these Janus structures.Relative regular residual analysis further indicates that the four-phonon processes are limited in Pb_(2)PAs and Pb_(2)SbAs,and the three-phonon scattering is sufficient to describe their anharmonicity.In this study,the thermal transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs monolayers are illuminated based on fundamental physical mechanisms,and the low lattice thermal conductivity endows them with the potential applications in the field of thermal barriers and thermoelectrics.展开更多
All-solid-state fluoride ion batteries(FIBs)have been recently considered as a post-lithium-ion battery system due to their high safety and high energy density.Just like all solid-state lithium batteries,the key to th...All-solid-state fluoride ion batteries(FIBs)have been recently considered as a post-lithium-ion battery system due to their high safety and high energy density.Just like all solid-state lithium batteries,the key to the development of FIBs lies in room-temperature electrolytes with high ionic conductivity.β-KSbF_(4) is a kind of promising solid-state electrolyte for FIBs owing to its rational ionic conductivity and relatively wide electrochemical stability window at room temperature.However,the previous synthesis routes ofβ-KSbF_(4) required the use of highly toxic hydrofluoric acid and the ionic conductivity of as-prepared product needs to be further improved.Herein,the β-KSbF_(4) sample with an ionic conductivity of 1.04×10^(-4)s cm^(-1)(30°C)is synthesized through the simple solid-state route.In order to account for the high ionic conductivity of the as-synthesizedβ-KSbF_(4),X-ray diffraction(XRD),scanning electron microscopy(SEM),and energy dispersive X-ray spectroscopy(EDS)are used to characterize the physic-ochemical properties.The results show that the as-synthesizedβ-KSbF_(4) exhibits higher carrier concentra-tion of 1.0×10^(-6)S cm-Hz^(-1)K and hopping frequency of 1.31×10^(6)Hz at 30°C due to the formation of the fluorine vacancies.Meanwhile,the hopping frequency shows the same trend as the changes of ionic conductivity with the changes of temperature,while the carrier concentration is found to be almost con-stant.The two different trends indicate the hopping frequency is mainly responsible for the ionic conduc-tion behavior withinβ-KSbF_(4).Furthermore,the all-solid-state FIBs,in which Ag and Pb+PbF_(2) are adopted as cathode and anode,andβ-KSbF_(4) as fluoride ion conductor,are capable of reversible charge and discharge.The assembled FIBs show a discharge capacity of 108.4 mA h g^(-1) at 1st cycle and 74.2 mA h g^(-1) at 50th cycle.Based on an examination of the capacity decay mechanism,it has been found that deterioration of the electrolyte/electrode interface is an important reason for hindering the commer-cial application of FIBs.Hence,the in-depth comprehension of the ion transport characteristics inβ-KSbF_(4) and the interpretation of the capacity fading mechanism will be conducive to promoting development of high-performanceFIBs.展开更多
How to achieve synergistic improvement of permittivity(ε_(r))and breakdown strength(E_(b))is a huge challenge for polymer dielectrics.Here,for the first time,theπ-conjugated comonomer(MHT)can simultaneously promote ...How to achieve synergistic improvement of permittivity(ε_(r))and breakdown strength(E_(b))is a huge challenge for polymer dielectrics.Here,for the first time,theπ-conjugated comonomer(MHT)can simultaneously promote theε_(r)and E_(b)of linear poly(methyl methacrylate)(PMMA)copolymers.The PMMA-based random copolymer films(P(MMA-co-MHT)),block copolymer films(PMMA-b-PMHT),and PMMA-based blend films were prepared to investigate the effects of sequential structure,phase separation structure,and modification method on dielectric and energy storage properties of PMMA-based dielectric films.As a result,the random copolymer P(MMA-coMHT)can achieve a maximumε_(r)of 5.8 at 1 kHz owing to the enhanced orientation polarization and electron polarization.Because electron injection and charge transfer are limited by the strong electrostatic attraction ofπ-conjugated benzophenanthrene group analyzed by the density functional theory(DFT),the discharge energy density value of P(MMA-co-PMHT)containing 1 mol%MHT units with the efficiency of 80%reaches15.00 J cm^(-3)at 872 MV m^(-1),which is 165%higher than that of pure PMMA.This study provides a simple and effective way to fabricate the high performance of polymer dielectrics via copolymerization with the monomer of P-type semi-conductive polymer.展开更多
基金the National Key R&D Program of China(No.2021YFB3701705).
文摘This work constructed a machine learning(ML)model to predict the atmospheric corrosion rate of low-alloy steels(LAS).The material properties of LAS,environmental factors,and exposure time were used as the input,while the corrosion rate as the output.6 dif-ferent ML algorithms were used to construct the proposed model.Through optimization and filtering,the eXtreme gradient boosting(XG-Boost)model exhibited good corrosion rate prediction accuracy.The features of material properties were then transformed into atomic and physical features using the proposed property transformation approach,and the dominant descriptors that affected the corrosion rate were filtered using the recursive feature elimination(RFE)as well as XGBoost methods.The established ML models exhibited better predic-tion performance and generalization ability via property transformation descriptors.In addition,the SHapley additive exPlanations(SHAP)method was applied to analyze the relationship between the descriptors and corrosion rate.The results showed that the property transformation model could effectively help with analyzing the corrosion behavior,thereby significantly improving the generalization ability of corrosion rate prediction models.
基金financially supported by the National Natural Science Foundation of China(Grant Nos.12072217 and 42077254)the Natural Science Foundation of Hunan Province,China(Grant No.2022JJ30567).
文摘The high-resolution DEM-IMB-LBM model can accurately describe pore-scale fluid-solid interactions,but its potential for use in geotechnical engineering analysis has not been fully unleashed due to its prohibitive computational costs.To overcome this limitation,a message passing interface(MPI)parallel DEM-IMB-LBM framework is proposed aimed at enhancing computation efficiency.This framework utilises a static domain decomposition scheme,with the entire computation domain being decomposed into multiple subdomains according to predefined processors.A detailed parallel strategy is employed for both contact detection and hydrodynamic force calculation.In particular,a particle ID re-numbering scheme is proposed to handle particle transitions across sub-domain interfaces.Two benchmarks are conducted to validate the accuracy and overall performance of the proposed framework.Subsequently,the framework is applied to simulate scenarios involving multi-particle sedimentation and submarine landslides.The numerical examples effectively demonstrate the robustness and applicability of the MPI parallel DEM-IMB-LBM framework.
基金financially supported by the Natural Science Foundation of Hunan Province,China(Grant No.2022JJ30567)the support of EPSRC Grant(UK):PURIFY(EP/V000756/1)the Scientific Research Foundation of Education Department of Hunan Province,China(Grant No.20B557).
文摘Multifield coupling is frequently encountered and also an active area of research in geotechnical engineering.In this work,a particle-resolved direct numerical simulation(PR-DNS)technique is extended to simulate particle-fluid interaction problems involving heat transfer at the grain level.In this extended technique,an immersed moving boundary(IMB)scheme is used to couple the discrete element method(DEM)and lattice Boltzmann method(LBM),while a recently proposed Dirichlet-type thermal boundary condition is also adapted to account for heat transfer between fluid phase and solid particles.The resulting DEM-IBM-LBM model is robust to simulate moving curved boundaries with constant temperature in thermal flows.To facilitate the understanding and implementation of this coupled model for non-isothermal problems,a complete list is given for the conversion of relevant physical variables to lattice units.Then,benchmark tests,including a single-particle sedimentation and a two-particle drafting-kissing-tumbling(DKT)simulation with heat transfer,are carried out to validate the accuracy of our coupled technique.To further investigate the role of heat transfer in particle-laden flows,two multiple-particle problems with heat transfer are performed.Numerical examples demonstrate that the proposed coupling model is a promising high-resolution approach for simulating the heat-particle-fluid coupling at the grain level.
基金This work was financially supported by the National Natural Science Foundation of China(Nos.51902101 and 21875203)the Natural Science Foundation of Hunan Province(Nos.2021JJ40044 and 2023JJ50287)Natural Science Foundation of Jiangsu Province(No.BK20201381).
文摘Deformable catalytic material with excellent flexible structure is a new type of catalyst that has been applied in various chemical reactions,especially electrocatalytic hydrogen evolution reaction(HER).In recent years,deformable catalysts for HER have made great progress and would become a research hotspot.The catalytic activities of deformable catalysts could be adjustable by the strain engineering and surface reconfiguration.The surface curvature of flexible catalytic materials is closely related to the electrocatalytic HER properties.Here,firstly,we systematically summarized self-adaptive catalytic performance of deformable catalysts and various micro–nanostructures evolution in catalytic HER process.Secondly,a series of strategies to design highly active catalysts based on the mechanical flexibility of lowdimensional nanomaterials were summarized.Last but not least,we presented the challenges and prospects of the study of flexible and deformable micro–nanostructures of electrocatalysts,which would further deepen the understanding of catalytic mechanisms of deformable HER catalyst.
基金the financial support from the National Natural Science Foundation of China(Nos.22205191 and 52002346)the Science and Technology Innovation Program of Hunan Province(No.2021RC3109)+1 种基金the Natural Science Foundation of Hunan Province,China(No.2022JJ40446)Guangxi Key Laboratory of Low Carbon Energy Material(No.2020GXKLLCEM01)。
文摘The concentration difference in the near-surface region of lithium metal is the main cause of lithium dendrite growth.Resolving this issue will be key to achieving high-performance lithium metal batteries(LMBs).Herein,we construct a lithium nitrate(LiNO_(3))-implanted electroactiveβphase polyvinylidene fluoride-co-hexafluoropropylene(PVDF-HFP)crystalline polymorph layer(PHL).The electronegatively charged polymer chains attain lithium ions on the surface to form lithium-ion charged channels.These channels act as reservoirs to sustainably release Li ions to recompense the ionic flux of electrolytes,decreasing the growth of lithium dendrites.The stretched molecular channels can also accelerate the transport of Li ions.The combined effects enable a high Coulombic efficiency of 97.0%for 250 cycles in lithium(Li)||copper(Cu)cell and a stable symmetric plating/stripping behavior over 2000 h at 3 mA cm^(-2)with ultrahigh Li utilization of 50%.Furthermore,the full cell coupled with PHL-Cu@Li anode and Li Fe PO_(4) cathode exhibits long-term cycle stability with high-capacity retention of 95.9%after 900 cycles.Impressively,the full cell paired with LiNi_(0.87)Co_(0.1)Mn_(0.03)O_(2)maintains a discharge capacity of 170.0 mAh g^(-1)with a capacity retention of 84.3%after 100 cycles even under harsh condition of ultralow N/P ratio of 0.83.This facile strategy will widen the potential application of LiNO_(3)in ester-based electrolyte for practical high-voltage LMBs.
基金The authors acknowledge the financial support from the National Natural Science Foundation of China(Grant No.32201509)Hunan Science and Technology Xiaohe Talent Support Project(2022 TJ-XH 013)+6 种基金Science and Technology Innovation Program of Hunan Province(2022RC1156,2021RC2100)State Key Laboratory of Woody Oil Resource Utilization Common Key Technology Innovation for the Green Transformation of Woody Oil(XLKY202205)State Key Laboratory of Woody Oil Resource Utilization Project(2019XK2002)Key Research and Development Program of the State Forestry and Grassland Administration(GLM[2021]95)Hunan Forestry Outstanding Youth Project(XLK202108-1)Changsha Science and Technology Project(kq2202325,kq2107022)Science and Technology Innovation Leading Talent of Hunan Province(2020RC4026).
文摘The C.oleifera oil processing industry generates large amounts of solid wastes,including C.oleifera shell(COS)and C.oleifera cake(COC).Distinct from generally acknowledged lignocellulosic biomass(corn stover,bamboo,birch,etc.),Camellia wastes contain diverse bioactive substances in addition to the abundant lignocellulosic components,and thus,the biorefinery utilization of C.oleifera processing byproducts involves complicated processing technologies.This reviewfirst summarizes various technologies for extracting and converting the main components in C.oleifera oil processing byproducts into value-added chemicals and biobased materials,as well as their potential applications.Microwave,ultrasound,and Soxhlet extractions are compared for the extraction of functional bioactive components(tannin,flavonoid,saponin,etc.),while solvothermal conversion and pyrolysis are discussed for the conversion of lignocellulosic components into value-added chemicals.The application areas of these chemicals according to their properties are introduced in detail,including utilizing antioxidant and anti-in-flammatory properties of the bioactive substances for the specific application,as well as drop-in chemicals for the substitution of unrenewable fossil fuel-derived products.In addition to chemical production,biochar fabricated from COS and its applications in thefields of adsorption,supercapacitor,soil remediation and wood composites are comprehensively reviewed and discussed.Finally,based on the compositions and structural characteristics of C.oleifera byproducts,the development of full-component valorization strategies and the expansion of the appli-cationfields are proposed.
基金Project supported by the National Natural Science Foundations of China(Grant Nos.62171401 and 62071411).
文摘Research on discrete memristor-based neural networks has received much attention.However,current research mainly focuses on memristor–based discrete homogeneous neuron networks,while memristor-coupled discrete heterogeneous neuron networks are rarely reported.In this study,a new four-stable discrete locally active memristor is proposed and its nonvolatile and locally active properties are verified by its power-off plot and DC V–I diagram.Based on two-dimensional(2D)discrete Izhikevich neuron and 2D discrete Chialvo neuron,a heterogeneous discrete neuron network is constructed by using the proposed discrete memristor as a coupling synapse connecting the two heterogeneous neurons.Considering the coupling strength as the control parameter,chaotic firing,periodic firing,and hyperchaotic firing patterns are revealed.In particular,multiple coexisting firing patterns are observed,which are induced by different initial values of the memristor.Phase synchronization between the two heterogeneous neurons is discussed and it is found that they can achieve perfect synchronous at large coupling strength.Furthermore,the effect of Gaussian white noise on synchronization behaviors is also explored.We demonstrate that the presence of noise not only leads to the transition of firing patterns,but also achieves the phase synchronization between two heterogeneous neurons under low coupling strength.
基金Projects(22176161,42307521)supported by the National Natural Science Foundation of ChinaProject(U21A20293)supported by the National Natural Science Foundation of China-Hunan Joint Fund+2 种基金Project(2023M742934)supported by the China Postdoctoral Science FoundationProject(CX20220599)supported by the Hunan Provincial Innovation Foundation for Postgraduate,ChinaProject supported by the Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province,China。
基金Project supported by the Key Projects of Hunan Provincial Department of Education (Grant No.23A0133)the Natural Science Foundation of Hunan Province (Grant No.2022JJ30572)the National Natural Science Foundations of China (Grant No.62171401)。
文摘The brain is a complex network system in which a large number of neurons are widely connected to each other and transmit signals to each other.The memory characteristic of memristors makes them suitable for simulating neuronal synapses with plasticity.In this paper,a memristor is used to simulate a synapse,a discrete small-world neuronal network is constructed based on Rulkov neurons and its dynamical behavior is explored.We explore the influence of system parameters on the dynamical behaviors of the discrete small-world network,and the system shows a variety of firing patterns such as spiking firing and triangular burst firing when the neuronal parameterαis changed.The results of a numerical simulation based on Matlab show that the network topology can affect the synchronous firing behavior of the neuronal network,and the higher the reconnection probability and number of the nearest neurons,the more significant the synchronization state of the neurons.In addition,by increasing the coupling strength of memristor synapses,synchronization performance is promoted.The results of this paper can boost research into complex neuronal networks coupled with memristor synapses and further promote the development of neuroscience.
基金Project supported by the Key Projects of Hunan Provincial Department of Education(Grant No.23A0133)the Natural Science Foundation of Hunan Province(Grant No.2022JJ30572)the National Natural Science Foundations of China(Grant No.62171401).
文摘Synaptic crosstalk is a prevalent phenomenon among neuronal synapses,playing a crucial role in the transmission of neural signals.Therefore,considering synaptic crosstalk behavior and investigating the dynamical behavior of discrete neural networks are highly necessary.In this paper,we propose a heterogeneous discrete neural network(HDNN)consisting of a three-dimensional KTz discrete neuron and a Chialvo discrete neuron.These two neurons are coupled mutually by two discrete memristors and the synaptic crosstalk is considered.The impact of crosstalk strength on the firing behavior of the HDNN is explored through bifurcation diagrams and Lyapunov exponents.It is observed that the HDNN exhibits different coexisting attractors under varying crosstalk strengths.Furthermore,the influence of different crosstalk strengths on the synchronized firing of the HDNN is investigated,revealing a gradual attainment of phase synchronization between the two discrete neurons as the crosstalk strength decreases.
基金Project supported by the National Natural Science Foundation of China(Grant No.62071411)the Research Foundation of Education Department of Hunan Province,China(Grant No.20B567).
文摘Memristor-based chaotic systems with infinite equilibria are interesting because they generate extreme multistability.Their initial state-dependent dynamics can be explained in a reduced-dimension model by converting the incremental integration of the state variables into system parameters.However,this approach cannot solve memristive systems in the presence of nonlinear terms other than the memristor term.In addition,the converted state variables may suffer from a degree of divergence.To allow simpler mechanistic analysis and physical implementation of extreme multistability phenomena,this paper uses a multiple mixed state variable incremental integration(MMSVII)method,which successfully reconstructs a four-dimensional hyperchaotic jerk system with multiple cubic nonlinearities except for the memristor term in a three-dimensional model using a clever linear state variable mapping that eliminates the divergence of the state variables.Finally,the simulation circuit of the reduced-dimension system is constructed using Multisim simulation software and the simulation results are consistent with the MATLAB numerical simulation results.The results show that the method of MMSVII proposed in this paper is useful for analyzing extreme multistable systems with multiple higher-order nonlinear terms.
基金Projects(42307521,22176161,U21A20293)supported by the National Natural Science Foundation of ChinaProject(2023M742934)supported by the China Postdoctoral Science Foundation。
基金Project supported by the National Natural Science Foundation of China (Grant No.11874315)the Postgraduate Scientific Research Innovation Project of Hunan Province of China (Grant No.CX20220663)。
文摘As opposed to the prototypical MoS2 with centroasymmetry,Janus ferrovalley materials such as H-VSSe are less symmetric with the mirror symmetry and time reversal symmetry broken,and hence possess spontaneous valley polarization and strong ferroelasticity.The optical transition is an important means to excite the valley carriers.We investigate the optical spectrum of H-VSSe by using the many-body perturbation-based GW approach and solving the Bethe–Salpeter equation(BSE)to include the electron–hole interactions.It is found that after the GW correction,the band gaps of the quasiparticle bands are much larger than those obtained by the normal density functional theory.The system is ferromagnetic and the valley gaps become non-degenerate due to spin–orbit coupling(SOC).The position of the lowest BSE peak is much lower than the quasiparticle band gap,indicating that the excitonic effect is large.The peak is split into two peaks by the SOC.The binding energy difference between these two BSE peaks is about the same as the difference between the inequivalent valley gaps.Our results show that in Janus H-VSSe the two lowest exciton peaks are from the two inequivalent valleys with different gaps,in contrast to the A and B exciton peaks of MoS2 which are from the same valley.
基金the financial support provided by the National Natural Science Foundation of China(Grant No.52208213)the Excellent Youth Foundation of Education Department in Hunan Province(Grant No.22B0141)+1 种基金the Xiaohe Sci-Tech Talents Special Funding under Hunan Provincial Sci-Tech Talents Sponsorship Program(2023TJ-X65)the Science Foundation of Xiangtan University(Grant No.21QDZ23).
文摘Transfer learning could reduce the time and resources required by the training of new models and be therefore important for generalized applications of the trainedmachine learning algorithms.In this study,a transfer learningenhanced convolutional neural network(CNN)was proposed to identify the gross weight and the axle weight of moving vehicles on the bridge.The proposed transfer learning-enhanced CNN model was expected to weigh different bridges based on a small amount of training datasets and provide high identification accuracy.First of all,a CNN algorithm for bridge weigh-in-motion(B-WIM)technology was proposed to identify the axle weight and the gross weight of the typical two-axle,three-axle,and five-axle vehicles as they crossed the bridge with different loading routes and speeds.Then,the pre-trained CNN model was transferred by fine-tuning to weigh themoving vehicle on another bridge.Finally,the identification accuracy and the amount of training data required were compared between the two CNN models.Results showed that the pre-trained CNN model using transfer learning for B-WIM technology could be successfully used for the identification of the axle weight and the gross weight for moving vehicles on another bridge while reducing the training data by 63%.Moreover,the recognition accuracy of the pre-trained CNN model using transfer learning was comparable to that of the original model,showing its promising potentials in the actual applications.
基金supported by the National Natural Science Foundation of China(22078278)Hunan Innovative Talent Project(2022RC1111)+2 种基金Hunan Provincial Education Bureau Foundation(22A0131)Hunan Province Higher Education Key Laboratory of Green Catalysis and Industrial Reaction Process IntensificationFurong Plan Provincial Enterprise Technology Innovation and Entrepreneurship Team.
文摘Kenics static mixers(KSM)are extensively used in industrial mixing-reaction processes by virtue of high mixing efficiency,low power homogenization and easy continuous production.Resolving liquid droplet size and its distribution and thus revealing the dispersion characteristics are of great significance for structural optimization and process intensification in the KSM.In this work,a computational fluid dynamics-population balance model(CFD-PBM)coupled method is employed to systematically investigate the effects of operating conditions and structural parameters of KSM on droplet size and its distribution,to further reveal the liquid-liquid dispersion characteristics.Results indicate that higher Reynolds numbers or higher dispersed phase volume fractions increase energy dissipation,reducing Sauter mean diameter(SMD)of dispersed phase droplets and with a shift in droplet size distribution(DSD)towards smaller size.Smaller aspect ratios,greater blade twist and assembly angles amplify shear rate,leading to smaller droplet size and a narrower DSD in the smaller range.The degree of impact exerted by the aspect ratio is notably greater.Notably,mixing elements with different spin enhance shear and stretching efficiency.Compared to the same spin,SMD becomes 3.7-5.8 times smaller in the smaller size range with a significantly narrower distribution.Taking into account the pressure drop and efficiency in a comprehensive manner,optimized structural parameters for the mixing element encompass an aspect ratio of 1-1.5,a blade twist angle of 180°,an assembly angle of 90°,and interlaced assembly of adjacent elements with different spin.This work provides vital theoretical underpinning and future reference for enhancing KSM performance.
基金Project(22A0117)supported by Hunan Provincial Department of Education,ChinaProject(AWJ-20-M02)supported by State Key Laboratory of Advanced Welding and Joining,Harbin Institute of Technology,China。
基金Project supported by the Youth Science and Technology Talent Project of Hunan Province of China (Grant No.2022RC1197)the National Natural Science Foundation of China (Grant No.52372260)。
文摘Grasping the underlying mechanisms behind the low lattice thermal conductivity of materials is essential for the efficient design and development of high-performance thermoelectric materials and thermal barrier coating materials.In this paper,we present a first-principles calculations of the phonon transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs monolayers.Both materials possess low lattice thermal conductivity,at least two orders of magnitude lower than graphene and h-BN.The room temperature thermal conductivity of Pb_(2)SbAs(0.91 W/m K)is only a quarter of that of Pb_(2)PAs(3.88 W/m K).We analyze in depth the bonding,lattice dynamics,and phonon mode level information of these materials.Ultimately,it is determined that the synergistic effect of low group velocity due to weak bonding and strong phonon anharmonicity is the fundamental cause of the intrinsic low thermal conductivity in these Janus structures.Relative regular residual analysis further indicates that the four-phonon processes are limited in Pb_(2)PAs and Pb_(2)SbAs,and the three-phonon scattering is sufficient to describe their anharmonicity.In this study,the thermal transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs monolayers are illuminated based on fundamental physical mechanisms,and the low lattice thermal conductivity endows them with the potential applications in the field of thermal barriers and thermoelectrics.
基金supported by the National Natural Science Foundation of China(No.U19A2018)the China National University Student Innovation and Entrepreneurship Training Program(S202310530059)。
文摘All-solid-state fluoride ion batteries(FIBs)have been recently considered as a post-lithium-ion battery system due to their high safety and high energy density.Just like all solid-state lithium batteries,the key to the development of FIBs lies in room-temperature electrolytes with high ionic conductivity.β-KSbF_(4) is a kind of promising solid-state electrolyte for FIBs owing to its rational ionic conductivity and relatively wide electrochemical stability window at room temperature.However,the previous synthesis routes ofβ-KSbF_(4) required the use of highly toxic hydrofluoric acid and the ionic conductivity of as-prepared product needs to be further improved.Herein,the β-KSbF_(4) sample with an ionic conductivity of 1.04×10^(-4)s cm^(-1)(30°C)is synthesized through the simple solid-state route.In order to account for the high ionic conductivity of the as-synthesizedβ-KSbF_(4),X-ray diffraction(XRD),scanning electron microscopy(SEM),and energy dispersive X-ray spectroscopy(EDS)are used to characterize the physic-ochemical properties.The results show that the as-synthesizedβ-KSbF_(4) exhibits higher carrier concentra-tion of 1.0×10^(-6)S cm-Hz^(-1)K and hopping frequency of 1.31×10^(6)Hz at 30°C due to the formation of the fluorine vacancies.Meanwhile,the hopping frequency shows the same trend as the changes of ionic conductivity with the changes of temperature,while the carrier concentration is found to be almost con-stant.The two different trends indicate the hopping frequency is mainly responsible for the ionic conduc-tion behavior withinβ-KSbF_(4).Furthermore,the all-solid-state FIBs,in which Ag and Pb+PbF_(2) are adopted as cathode and anode,andβ-KSbF_(4) as fluoride ion conductor,are capable of reversible charge and discharge.The assembled FIBs show a discharge capacity of 108.4 mA h g^(-1) at 1st cycle and 74.2 mA h g^(-1) at 50th cycle.Based on an examination of the capacity decay mechanism,it has been found that deterioration of the electrolyte/electrode interface is an important reason for hindering the commer-cial application of FIBs.Hence,the in-depth comprehension of the ion transport characteristics inβ-KSbF_(4) and the interpretation of the capacity fading mechanism will be conducive to promoting development of high-performanceFIBs.
基金the funding of National Key R&D Program of China(No.2020YFA0711700)Hunan National Natural Science Foundation(2021JJ30652)+3 种基金National Natural Science Foundation of China(52002404)Natural Science Foundation of Guangdong Province(2020A1515011198)Characteristic Innovation Projects of Colleges and Universities in Guangdong Province(2020KT SCX081)State Key Laboratory of Powder Metallurgy,Central South University,Changsha,China
文摘How to achieve synergistic improvement of permittivity(ε_(r))and breakdown strength(E_(b))is a huge challenge for polymer dielectrics.Here,for the first time,theπ-conjugated comonomer(MHT)can simultaneously promote theε_(r)and E_(b)of linear poly(methyl methacrylate)(PMMA)copolymers.The PMMA-based random copolymer films(P(MMA-co-MHT)),block copolymer films(PMMA-b-PMHT),and PMMA-based blend films were prepared to investigate the effects of sequential structure,phase separation structure,and modification method on dielectric and energy storage properties of PMMA-based dielectric films.As a result,the random copolymer P(MMA-coMHT)can achieve a maximumε_(r)of 5.8 at 1 kHz owing to the enhanced orientation polarization and electron polarization.Because electron injection and charge transfer are limited by the strong electrostatic attraction ofπ-conjugated benzophenanthrene group analyzed by the density functional theory(DFT),the discharge energy density value of P(MMA-co-PMHT)containing 1 mol%MHT units with the efficiency of 80%reaches15.00 J cm^(-3)at 872 MV m^(-1),which is 165%higher than that of pure PMMA.This study provides a simple and effective way to fabricate the high performance of polymer dielectrics via copolymerization with the monomer of P-type semi-conductive polymer.