It is well-known that the propagation phenomena of nonlocal dispersal equations have been extensively studied,and the known results on the interface dynamics of this equation are under the compactly supported initial ...It is well-known that the propagation phenomena of nonlocal dispersal equations have been extensively studied,and the known results on the interface dynamics of this equation are under the compactly supported initial value.Moreover,there was no explicit formula regarding the interface due to the peculiarity of nonlocal dispersal operators.Anatural question is whether it is possible to provide a precise characterization of the interface with respect to small parameter for the general initial values(including exponentially bounded and unbounded).This paper is concerned with the interface dynamics of the nonlocal dispersal equation with scaling parameter.For the exponentially bounded initial value,by choosing the hyperbolic scaling,we show that at a very small time,the interface is confined within a generated layer whose thickness is at most O(√ɛ|ln ɛ|),,and subsequently,the interface propagates at a linear speed determined by the decay rate of initial value.For a class of exponentially unbounded initial value,by introducing the nonlinear scaling based on the decay of initial value,we deduce the corresponding Hamilton-Jacobi equation and describe precisely the propagation of the interface,which provides a superlinear speed of the interface.The investigation of the interface dynamics under different scaling reflects multiplex propagation modes in spatial dynamics and provides a new perspective on the wave propagation in nonlocal dispersal equations.展开更多
Organic-inorganic hybrid perovskite solar cells achieve remarkable efficiencies(>26%)yet face stability challenges.Quasi-2D alternating-cation-interlayer perovskites offer enhanced stability through hydrophobic spa...Organic-inorganic hybrid perovskite solar cells achieve remarkable efficiencies(>26%)yet face stability challenges.Quasi-2D alternating-cation-interlayer perovskites offer enhanced stability through hydrophobic spacer cations but suffer from vertical phase segregation and buried interface defects.Herein,we introduce dicyanodiamide(DCD)to simultaneously address these dual limitations in GA(MA)_(n)Pb_(n)I_(3n+1)perovskites.The guanidine group in DCD passivates undercoordinated Pb^(2+)and MA^(+)vacancies at the perovskite/TiO_(2)interface,while cyano groups eliminate oxygen vacancies in TiO_(2)via Ti^(4+)-CN coordination,reducing interfacial trap density by 73%with respect to the control sample.In addition,DCD regulates crystallization kinetics,suppressing low-n-phase aggregation and promoting vertical alignment of high-n phases,which benefit for carrier transport.This dual-functional modification enhances charge transport and stabilizes energy-level alignment.The optimized devices achieve a record power conversion efficiency of 21.54%(vs.19.05%control)and retain 94%initial efficiency after 1200 h,outperforming unmodified counterparts(84%retention).Combining defect passivation with phase homogenization,this work establishes a molecular bridge strategy to decouple stability-efficiency trade-offs in low-dimensional perovskites,providing a universal framework for interface engineering in high-performance optoelectronics.展开更多
The temperature gradients that arise in the paraelectric-ferroelectric interface dynamics induced by the latent heat transfer are studied from the point of view that a ferroelectric phase transition is a stationary, t...The temperature gradients that arise in the paraelectric-ferroelectric interface dynamics induced by the latent heat transfer are studied from the point of view that a ferroelectric phase transition is a stationary, thermal-electric coupled transport process. The local entropy production is derived for a ferroelectric phase transition system from the Gibbs equation. Three types of regions in the system are described well by using the Onsager relations and the principle of minimum entropy production. The theoretical results coincides with the experimental ones.展开更多
Forced imbibition,the invasion of a wetting fluid into porous rocks,plays an important role in the effective exploitation of hydrocarbon resources and the geological sequestration of carbon dioxide.However,the interfa...Forced imbibition,the invasion of a wetting fluid into porous rocks,plays an important role in the effective exploitation of hydrocarbon resources and the geological sequestration of carbon dioxide.However,the interface dynamics influenced by complex topology commonly leads to non-wetting fluid trapping.Particularly,the underlying mechanisms under viscously unfavorable conditions remain unclear.This study employs a direct numerical simulation method to simulate forced imbibition through the reconstructed digital rocks of sandstone.The interface dynamics and fluid–fluid interactions are investigated through transient simulations,while the pore topology metrics are introduced to analyze the impact on steady-state residual fluid distribution obtained by a pseudo-transient scheme.The results show that the cooperative pore-filling process promoted by corner flow is dominant at low capillary numbers.This leads to unstable inlet pressure,mass flow,and interface curvature,which correspond to complicated interface dynamics and higher residual fluid saturation.During forced imbibition,the interface curvature gradually increases,with the pore-filling mechanisms involving the cooperation of main terminal meniscus movement and arc menisci filling.Complex topology with small diameter pores may result in the destabilization of interface curvature.The residual fluid saturation is negatively correlated with porosity and pore throat size,and positively correlated with tortuosity and aspect ratio.A large mean coordination number characterizing global connectivity promotes imbibition.However,high connectivity characterized by the standardized Euler number corresponding to small pores is associated with a high probability of non-wetting fluid trapping.展开更多
It is well accepted that a lithiophilic interface can effectively regulate Li deposition behaviors,but the influence of the lithiophilic interface is gradually diminished upon continuous Li deposition that completely ...It is well accepted that a lithiophilic interface can effectively regulate Li deposition behaviors,but the influence of the lithiophilic interface is gradually diminished upon continuous Li deposition that completely isolates Li from the lithiophilic metals.Herein,we perform in-depth studies on the creation of dynamic alloy interfaces upon Li deposition,arising from the exceptionally high diffusion coefficient of Hg in the amalgam solid solution.As a comparison,other metals such as Au,Ag,and Zn have typical diffusion coefficients of 10-20 orders of magnitude lower than that of Hg in the similar solid solution phases.This difference induces compact Li deposition pattern with an amalgam substrate even with a high areal capacity of 55 mAh cm^(-2).This finding provides new insight into the rational design of Li anode substrate for the stable cycling of Li metal batteries.展开更多
To study the influence of construction interfaces on dynamic characteristics of roller compacted concrete dams(RCCDs),mechanical properties of construction interfaces are firstly analyzed. Then, the viscous-spring art...To study the influence of construction interfaces on dynamic characteristics of roller compacted concrete dams(RCCDs),mechanical properties of construction interfaces are firstly analyzed. Then, the viscous-spring artificial boundary(VSAB) is adopted to simulate the radiation damping of their infinite foundations, and based on the Marc software, a simplified seismic motion input method is presented by the equivalent nodal loads. Finally, based on the practical engineering of a RCC gravity dam, effects of radiation damping and construction interfaces on the dynamic characteristics of dams are investigated in detail. Analysis results show that dynamic response of the RCC gravity dam significantly reduces about 25% when the radiation damping of infinite foundation is considered. Hot interfaces and the normal cold interfaces have little influence on the dynamic response of the RCC gravity dam.However, nonlinear fracture along the cold interfaces at the dam heel will occur under the designed earthquake if the cold interfaces are combined poorly. Therefore, to avoid the fractures along the construction interfaces under the potential super earthquakes,combination quality of the RCC layers should be significantly ensured.展开更多
Lithium manganese oxide （LiMn2O4） is a principal cathode material for high power and high energy density electrochemical storage on account of its low cost, non-toxicity, and ease of preparation relative to other ca...Lithium manganese oxide （LiMn2O4） is a principal cathode material for high power and high energy density electrochemical storage on account of its low cost, non-toxicity, and ease of preparation relative to other cathode materials. However, there are well-documented problems with capacity fade of lithium ion batteries containing LiMn2O4. Experimental observations indicate that the manganese content of the electrolyte increases as an electrochemical cell containing LiMn2O4 ages, suggesting that active material loss by dissolution of divalent manganese from the LiMn2O4 surface is the primary reason for reduced cell life in LiMn2O4 batteries. To improve the retention of manganese in the active material, it is key to understand the reactions that occur at the cathode surface. Although a thin layer of electrolyte decomposition products is known to form at the cathode surface, the speciation and reaction mechanisms of Mn^2＋ in this interface layer are not yet well understood. To bridge this knowledge gap, reactive force field （ReaxFF） based molecular dynamics was applied to investigate the reactions occurring at the LiMn2O4 cathode surface and the mechanisms that lead to manganese dissolution. The ReaxFFMD simulations reveal that the cathode-electrolyte interface layer is composed of oxida- tion products of electrolyte solvent molecules including aldehydes, esters, alcohols, polycarbonates, and organic radicals. The oxidation reaction pathways for the electro- lyre solvent molecules involve the formation of surface hydroxyl species that react with exposed manganese atoms on the cathode surface. The presence of hydrogen fluoride （HF） induces formation of inorganic metal fluorides and surface hydroxyl species. Reaction products predicted by ReaxFF-based MD are in agreement with experimentally identified cathode-electrolyte interface compounds. An overall cathode-electrolyte interface reaction scheme is proposed based on the molecular simulation results.展开更多
Anti-icing is crucial for numerous instruments and devices in low temperature circum- stance. One of the approaches in anti-icing is to reduce ice adhesion strength, seeking spontaneous de-icing processes by natural f...Anti-icing is crucial for numerous instruments and devices in low temperature circum- stance. One of the approaches in anti-icing is to reduce ice adhesion strength, seeking spontaneous de-icing processes by natural forces of gravity or by winds. In order to enable tai- lored surface icephobicity design, research requires a good theoretical understanding of the atomistic interacting mechanisms between water/ice molecules and their adhering substrates. Herein, this work focuses on using atomistic modeling and molecular dynamics simulation to build a nanosized ice-cube adhering onto silicon surface, with different contact modes of solid-solid and solid-liquid-solid patterns. This study provides atomistic models for probing nanoscale ice adhesion mechanics and theoretical platforms for explaining experimental results.展开更多
A simple, economic, efficient and eco-friendly nanodiamond （ND） modifying method to reinforce the ND]epoxy composite for the industrialization of the high-performance ND/epoxy composite is always desired. In the pre...A simple, economic, efficient and eco-friendly nanodiamond （ND） modifying method to reinforce the ND]epoxy composite for the industrialization of the high-performance ND/epoxy composite is always desired. In the present work, the ND was successfully modified only using aqueous ammonia through an easy-to-operate method by replacing the hydrogen atoms in the carboxyl group with ammonium ions. Ammonia, which is the only pollutant in the process, could be recycled. The modified ND/epoxy composite showed an overwhelming advantage over the neat epoxy or the ND/epoxy composite in storage modulus in their glassy state without any degradation of tensile strength, hardness and fracture toughness.展开更多
The mathematical formulation of sloshing dynamics for a partially liquid filleddewar container driven by the gravity jitter acceleration associated with slew motion isstudied.Explicit mathematical expressions to man...The mathematical formulation of sloshing dynamics for a partially liquid filleddewar container driven by the gravity jitter acceleration associated with slew motion isstudied.Explicit mathematical expressions to manage jitter accelerption associated withslew motion which is acting on the fluid systems in microgravity are derived. Thenumerical computation of sloshing dymamics is based on the non-inertia framecontainer bound coordinate and the solution of time-dependent three-dimensionalformulations of partial differential equations subject to initial and boundary conditions.The numerical computation of fluid viscous stress forces and moment fluctuationsexerted on the dewar container driven by jitter acceleration associated with slew motion is investigated.展开更多
This study presents the development of computationally efficient coupling of Navier–Stokes Computational Fluid Dynamics(CFD)with a helicopter flight dynamics model with the ultimate goal of real-time simulation of ai...This study presents the development of computationally efficient coupling of Navier–Stokes Computational Fluid Dynamics(CFD)with a helicopter flight dynamics model with the ultimate goal of real-time simulation of airwake effects in the helicopter/ship Dynamic Interface(DI).The flight dynamics model is free to move within a computational domain,where the main rotor forces are converted to source terms in the momentum equations of the CFD solution using an actuator disk model.Simultaneously,the CFD solver calculates induced velocities that are fed back to the simulation and affect the aerodynamic loads in the flight dynamics.The CFD solver models the inflow,ground effect and interactional aerodynamics in the flight dynamics simulation,and these calculations can be coupled with the solution of the external flow(e.g.,ship airwake effects).The simulation framework for fully-coupled pilot-in-the-loop(PIL)flight dynamics/CFD is demonstrated for a simplified shedding wake.Initial tests were performed with 0.38 million structured grid cells running on 352 processors and showed near-real-time performance.Improvements to the coupling interface are described that allow the simulation run at near-real-time execution speeds on currently available computing platforms.Improvements in computing hardware are expected to allow real-time simulations.展开更多
In this paper,we review the recent development of phase-field models and their numerical methods for multi-component fluid flows with interfacial phenomena.The models consist of a Navier-Stokes system coupled with a m...In this paper,we review the recent development of phase-field models and their numerical methods for multi-component fluid flows with interfacial phenomena.The models consist of a Navier-Stokes system coupled with a multi-component Cahn-Hilliard system through a phase-field dependent surface tension force,variable density and viscosity,and the advection term.The classical infinitely thin boundary of separation between two immiscible fluids is replaced by a transition region of a small but finite width,across which the composition of the mixture changes continuously.A constant level set of the phase-field is used to capture the interface between two immiscible fluids.Phase-field methods are capable of computing topological changes such as splitting andmerging,and thus have been applied successfully to multi-component fluid flows involving large interface deformations.Practical applications are provided to illustrate the usefulness of using a phase-field method.Computational results of various experiments show the accuracy and effectiveness of phase-field models.展开更多
We propose a model for studying binary fluids based on the mesoscopic molecular simulation technique known as multiparticle collision, where the space and state variables are continuous, and time is discrete. We inclu...We propose a model for studying binary fluids based on the mesoscopic molecular simulation technique known as multiparticle collision, where the space and state variables are continuous, and time is discrete. We include a repulsion rule to simulate segregation processes that does not require calculation of the interaction forces between particles, so binary fluids can be described on a mesoscopic scale. The model is conceptually simple and computationally efficient; it maintains Galilean invariance and conserves the mass and energy in the system at the micro- and macro-scale, whereas momentum is conserved globally. For a wide range of temperatures and densities, the model yields results in good agreement with the known properties of binary fluids, such as the density profile, interface width, phase separation, and phase growth. We also apply the model to the study of binary fluids in crowded environments with consistent results.展开更多
Background： We aimed to use the animal model of dynamic fixation to examine the interaction of the pedicle screw surface with sun＇ounding bone, and determine whether pedicle screws achieve good mechanical stability ...Background： We aimed to use the animal model of dynamic fixation to examine the interaction of the pedicle screw surface with sun＇ounding bone, and determine whether pedicle screws achieve good mechanical stability in the vertebrae. Methods： Twenty-four goats aged 2-3 years had Cosmic pedicle screws implanted into both sides of the L2-L5 pedicles. Twelve goats in the bilateral dynamic fixation group had fixation rods implanted in L2-L3 and L4-L5. Twelve goats in the unilateral dynamic fixation group had fixation rods randomly fixed on one side of the lumbar spine. The side that was not implanted with fixation rods was used as a static control group. Results： In the static control group, new bone was formed around the pedicle screw and on the screw surthce. In the unilateral and bilateral dynamic fixation groups, large amounts of connective tissue formed between and around the screw threads, with no new bone formation on the screw surlhce; the pedicle screws were loose after the fixed rods were removed. The bone mineral density and morphological parameters of the region of interest （ROI） in the unilateral and bilateral dynamic fixation group were not significantly different （P 〉 0.05）, but were lower in the fixed groups than the static control group （P 〈 0.05）. This showed the description bone of the ROI in the static control group was greater than in the fixation groups. Under loading conditions, the pedicle screw maximum pull force was not significantly different between the bilateral and unilateral dynamic fixation groups （P 〉 0.05）： however the maximum pull force of the fixation groups was significantly less than the static control group （P 〈 0.01 ）. Conclusions： Fibrous connective tissue formed at the bone-screw interface tinder unilateral and bilateral pedicle dynamic fixation, and the pedicle screws lost mechanical stability in the vertebrae.展开更多
We develop an efficient numerical method to compute single slit or double slit diffraction patterns from high frequency wave in inhomogeneous media.We approximate the high frequency asymptotic solution to the Helmholt...We develop an efficient numerical method to compute single slit or double slit diffraction patterns from high frequency wave in inhomogeneous media.We approximate the high frequency asymptotic solution to the Helmholtz equation using the Eulerian Gaussian beam summation proposed in[20,21].The emitted rays from a slit are embedded in the phase space using an open segment.The evolution of this open curve is accurately computed using the recently developed Grid Based Particle Method[24]which results in a very efficient computational algorithm.Following the grid based particle method we proposed in[23,24],we represent the open curve or the open surface by meshless Lagrangian particles sampled according to an underlying fixed Eulerian mesh.The end-points of the open curve are tracked explicitly and consistently with interior particles.To construct the overall wavefield,each of these sampling particles also carry necessary quantities that are obtained by solving advection-reaction equations.Numerical experiments show that the resulting method can model diffraction patterns in inhomogeneous media accurately,even in the occurrence of caustics.展开更多
基金partially supported by the NSF of China(12271226)partially supported by the NSF of China(12201434)+4 种基金the NSF of Gansu Province of China(21JR7RA537)the NSF of Gansu Province of China(21JR7RA535)the Fundamental Research Funds for the Central Universities(lzujbky-2021-kb15)partially supported by the NSF of China(12371170)the R&D Program of Beijing Municipal Education Commission(KM202310028017)。
文摘It is well-known that the propagation phenomena of nonlocal dispersal equations have been extensively studied,and the known results on the interface dynamics of this equation are under the compactly supported initial value.Moreover,there was no explicit formula regarding the interface due to the peculiarity of nonlocal dispersal operators.Anatural question is whether it is possible to provide a precise characterization of the interface with respect to small parameter for the general initial values(including exponentially bounded and unbounded).This paper is concerned with the interface dynamics of the nonlocal dispersal equation with scaling parameter.For the exponentially bounded initial value,by choosing the hyperbolic scaling,we show that at a very small time,the interface is confined within a generated layer whose thickness is at most O(√ɛ|ln ɛ|),,and subsequently,the interface propagates at a linear speed determined by the decay rate of initial value.For a class of exponentially unbounded initial value,by introducing the nonlinear scaling based on the decay of initial value,we deduce the corresponding Hamilton-Jacobi equation and describe precisely the propagation of the interface,which provides a superlinear speed of the interface.The investigation of the interface dynamics under different scaling reflects multiplex propagation modes in spatial dynamics and provides a new perspective on the wave propagation in nonlocal dispersal equations.
基金support from the National Key R&D Program of China(Grant No.2023YFE0111500)the National Natural Science Foundation of China(Grant No.52321006,T2394480,T2394484,22109143,22479131)+8 种基金Beijing National Laboratory for Molecular Sciences(BNLMS-CXXM-202005)the China Postdoctoral Innovative Talent Support Program(Grant No.BX2021271)the China Postdoctoral Science Foundation(2022M712851)the Opening Project of State Key Laboratory of Advanced Technology for Float Glass(Grant No.2022KF04)Graduate Education Reform Project of Henan Province(Grant No.2023SJGLX136Y)Key R&D Special Program of Henan Province(Grant No.241111242000)Program for Science and Technology Innovation Talents in Universities of Henan Province(Grant No.25HASTIT005)Training Plan for Young Backbone Teachers of Zhengzhou University(Grant No.2023ZDGGJS017)the Joint Research Project of Puyang Shengtong Juyuan New Materials Co.,Ltd.(Grant No.20230128A).
文摘Organic-inorganic hybrid perovskite solar cells achieve remarkable efficiencies(>26%)yet face stability challenges.Quasi-2D alternating-cation-interlayer perovskites offer enhanced stability through hydrophobic spacer cations but suffer from vertical phase segregation and buried interface defects.Herein,we introduce dicyanodiamide(DCD)to simultaneously address these dual limitations in GA(MA)_(n)Pb_(n)I_(3n+1)perovskites.The guanidine group in DCD passivates undercoordinated Pb^(2+)and MA^(+)vacancies at the perovskite/TiO_(2)interface,while cyano groups eliminate oxygen vacancies in TiO_(2)via Ti^(4+)-CN coordination,reducing interfacial trap density by 73%with respect to the control sample.In addition,DCD regulates crystallization kinetics,suppressing low-n-phase aggregation and promoting vertical alignment of high-n phases,which benefit for carrier transport.This dual-functional modification enhances charge transport and stabilizes energy-level alignment.The optimized devices achieve a record power conversion efficiency of 21.54%(vs.19.05%control)and retain 94%initial efficiency after 1200 h,outperforming unmodified counterparts(84%retention).Combining defect passivation with phase homogenization,this work establishes a molecular bridge strategy to decouple stability-efficiency trade-offs in low-dimensional perovskites,providing a universal framework for interface engineering in high-performance optoelectronics.
文摘The temperature gradients that arise in the paraelectric-ferroelectric interface dynamics induced by the latent heat transfer are studied from the point of view that a ferroelectric phase transition is a stationary, thermal-electric coupled transport process. The local entropy production is derived for a ferroelectric phase transition system from the Gibbs equation. Three types of regions in the system are described well by using the Onsager relations and the principle of minimum entropy production. The theoretical results coincides with the experimental ones.
基金supported by the National Natural Science Foundation of China(Grant Nos.42172159 and 42302143)the Postdoctora Fellowship Program of the China Postdoctoral Science Foundation(CPSF)(Grant No.GZB20230864).
文摘Forced imbibition,the invasion of a wetting fluid into porous rocks,plays an important role in the effective exploitation of hydrocarbon resources and the geological sequestration of carbon dioxide.However,the interface dynamics influenced by complex topology commonly leads to non-wetting fluid trapping.Particularly,the underlying mechanisms under viscously unfavorable conditions remain unclear.This study employs a direct numerical simulation method to simulate forced imbibition through the reconstructed digital rocks of sandstone.The interface dynamics and fluid–fluid interactions are investigated through transient simulations,while the pore topology metrics are introduced to analyze the impact on steady-state residual fluid distribution obtained by a pseudo-transient scheme.The results show that the cooperative pore-filling process promoted by corner flow is dominant at low capillary numbers.This leads to unstable inlet pressure,mass flow,and interface curvature,which correspond to complicated interface dynamics and higher residual fluid saturation.During forced imbibition,the interface curvature gradually increases,with the pore-filling mechanisms involving the cooperation of main terminal meniscus movement and arc menisci filling.Complex topology with small diameter pores may result in the destabilization of interface curvature.The residual fluid saturation is negatively correlated with porosity and pore throat size,and positively correlated with tortuosity and aspect ratio.A large mean coordination number characterizing global connectivity promotes imbibition.However,high connectivity characterized by the standardized Euler number corresponding to small pores is associated with a high probability of non-wetting fluid trapping.
基金supported by the National Key Research and Development Program of China(2019YFA0205700)Scientific Research Projects of Colleges and Universities in Hebei Province(JZX2023004)+2 种基金Research Program of Local Science and Technology Development under the Guidance of Central(216Z4402G)support from Ministry of Science and Higher Education of Russian Federation(project FFSG-2022-0001(122111700046-3),"Laboratory of perspective electrode materials for chemical power sources")support from"Yuanguang"Scholar Program of Hebei University of Technology
文摘It is well accepted that a lithiophilic interface can effectively regulate Li deposition behaviors,but the influence of the lithiophilic interface is gradually diminished upon continuous Li deposition that completely isolates Li from the lithiophilic metals.Herein,we perform in-depth studies on the creation of dynamic alloy interfaces upon Li deposition,arising from the exceptionally high diffusion coefficient of Hg in the amalgam solid solution.As a comparison,other metals such as Au,Ag,and Zn have typical diffusion coefficients of 10-20 orders of magnitude lower than that of Hg in the similar solid solution phases.This difference induces compact Li deposition pattern with an amalgam substrate even with a high areal capacity of 55 mAh cm^(-2).This finding provides new insight into the rational design of Li anode substrate for the stable cycling of Li metal batteries.
基金Projects(20120094110005,20120094130003)supported by the Research Fund for the Doctoral Program of Higher Education of ChinaProjects(51379068,51139001,51279052,51209077,51179066)supported by the National Natural Science Foundation of China+1 种基金Project(NCET-11-0628)supported by the Program for New Century Excellent Talents in University,ChinaProjects(201201038,201101013)supported by the Public Welfare Industry Research Special Fund Project of Ministry of Water Resources of China
文摘To study the influence of construction interfaces on dynamic characteristics of roller compacted concrete dams(RCCDs),mechanical properties of construction interfaces are firstly analyzed. Then, the viscous-spring artificial boundary(VSAB) is adopted to simulate the radiation damping of their infinite foundations, and based on the Marc software, a simplified seismic motion input method is presented by the equivalent nodal loads. Finally, based on the practical engineering of a RCC gravity dam, effects of radiation damping and construction interfaces on the dynamic characteristics of dams are investigated in detail. Analysis results show that dynamic response of the RCC gravity dam significantly reduces about 25% when the radiation damping of infinite foundation is considered. Hot interfaces and the normal cold interfaces have little influence on the dynamic response of the RCC gravity dam.However, nonlinear fracture along the cold interfaces at the dam heel will occur under the designed earthquake if the cold interfaces are combined poorly. Therefore, to avoid the fractures along the construction interfaces under the potential super earthquakes,combination quality of the RCC layers should be significantly ensured.
文摘Lithium manganese oxide （LiMn2O4） is a principal cathode material for high power and high energy density electrochemical storage on account of its low cost, non-toxicity, and ease of preparation relative to other cathode materials. However, there are well-documented problems with capacity fade of lithium ion batteries containing LiMn2O4. Experimental observations indicate that the manganese content of the electrolyte increases as an electrochemical cell containing LiMn2O4 ages, suggesting that active material loss by dissolution of divalent manganese from the LiMn2O4 surface is the primary reason for reduced cell life in LiMn2O4 batteries. To improve the retention of manganese in the active material, it is key to understand the reactions that occur at the cathode surface. Although a thin layer of electrolyte decomposition products is known to form at the cathode surface, the speciation and reaction mechanisms of Mn^2＋ in this interface layer are not yet well understood. To bridge this knowledge gap, reactive force field （ReaxFF） based molecular dynamics was applied to investigate the reactions occurring at the LiMn2O4 cathode surface and the mechanisms that lead to manganese dissolution. The ReaxFFMD simulations reveal that the cathode-electrolyte interface layer is composed of oxida- tion products of electrolyte solvent molecules including aldehydes, esters, alcohols, polycarbonates, and organic radicals. The oxidation reaction pathways for the electro- lyre solvent molecules involve the formation of surface hydroxyl species that react with exposed manganese atoms on the cathode surface. The presence of hydrogen fluoride （HF） induces formation of inorganic metal fluorides and surface hydroxyl species. Reaction products predicted by ReaxFF-based MD are in agreement with experimentally identified cathode-electrolyte interface compounds. An overall cathode-electrolyte interface reaction scheme is proposed based on the molecular simulation results.
基金the financial support from Statoil ASA (Norway) through the project of nanotechnology for anti-icing application, NTNU stjerneprogramthe Research Council of Norway through the FRINATEK project Towards Design of Super-Low Ice Adhesion Surfaces ( SLICE,250990 )
文摘Anti-icing is crucial for numerous instruments and devices in low temperature circum- stance. One of the approaches in anti-icing is to reduce ice adhesion strength, seeking spontaneous de-icing processes by natural forces of gravity or by winds. In order to enable tai- lored surface icephobicity design, research requires a good theoretical understanding of the atomistic interacting mechanisms between water/ice molecules and their adhering substrates. Herein, this work focuses on using atomistic modeling and molecular dynamics simulation to build a nanosized ice-cube adhering onto silicon surface, with different contact modes of solid-solid and solid-liquid-solid patterns. This study provides atomistic models for probing nanoscale ice adhesion mechanics and theoretical platforms for explaining experimental results.
基金supported by the National Natural Science Foundation of China(Nos.21503241,21473223,51221264,21261160487,91545119 and 91545110)the CAS/SAFEA International Partnership Program for Creative Research Teams
文摘A simple, economic, efficient and eco-friendly nanodiamond （ND） modifying method to reinforce the ND]epoxy composite for the industrialization of the high-performance ND/epoxy composite is always desired. In the present work, the ND was successfully modified only using aqueous ammonia through an easy-to-operate method by replacing the hydrogen atoms in the carboxyl group with ammonium ions. Ammonia, which is the only pollutant in the process, could be recycled. The modified ND/epoxy composite showed an overwhelming advantage over the neat epoxy or the ND/epoxy composite in storage modulus in their glassy state without any degradation of tensile strength, hardness and fracture toughness.
文摘The mathematical formulation of sloshing dynamics for a partially liquid filleddewar container driven by the gravity jitter acceleration associated with slew motion isstudied.Explicit mathematical expressions to manage jitter accelerption associated withslew motion which is acting on the fluid systems in microgravity are derived. Thenumerical computation of sloshing dymamics is based on the non-inertia framecontainer bound coordinate and the solution of time-dependent three-dimensionalformulations of partial differential equations subject to initial and boundary conditions.The numerical computation of fluid viscous stress forces and moment fluctuationsexerted on the dewar container driven by jitter acceleration associated with slew motion is investigated.
基金the Office of Naval Research,ONR,under Grant/Contract numbers N00014-14-C-0020(PSU)and N00014-13-C-0456(CRAFT Tech).
文摘This study presents the development of computationally efficient coupling of Navier–Stokes Computational Fluid Dynamics(CFD)with a helicopter flight dynamics model with the ultimate goal of real-time simulation of airwake effects in the helicopter/ship Dynamic Interface(DI).The flight dynamics model is free to move within a computational domain,where the main rotor forces are converted to source terms in the momentum equations of the CFD solution using an actuator disk model.Simultaneously,the CFD solver calculates induced velocities that are fed back to the simulation and affect the aerodynamic loads in the flight dynamics.The CFD solver models the inflow,ground effect and interactional aerodynamics in the flight dynamics simulation,and these calculations can be coupled with the solution of the external flow(e.g.,ship airwake effects).The simulation framework for fully-coupled pilot-in-the-loop(PIL)flight dynamics/CFD is demonstrated for a simplified shedding wake.Initial tests were performed with 0.38 million structured grid cells running on 352 processors and showed near-real-time performance.Improvements to the coupling interface are described that allow the simulation run at near-real-time execution speeds on currently available computing platforms.Improvements in computing hardware are expected to allow real-time simulations.
基金supported by Basic Science Research Program through the National Research Foundation of Korea(NRF)funded by the Ministry of Education,Science and Technology(No.331-2008-1-C00044).
文摘In this paper,we review the recent development of phase-field models and their numerical methods for multi-component fluid flows with interfacial phenomena.The models consist of a Navier-Stokes system coupled with a multi-component Cahn-Hilliard system through a phase-field dependent surface tension force,variable density and viscosity,and the advection term.The classical infinitely thin boundary of separation between two immiscible fluids is replaced by a transition region of a small but finite width,across which the composition of the mixture changes continuously.A constant level set of the phase-field is used to capture the interface between two immiscible fluids.Phase-field methods are capable of computing topological changes such as splitting andmerging,and thus have been applied successfully to multi-component fluid flows involving large interface deformations.Practical applications are provided to illustrate the usefulness of using a phase-field method.Computational results of various experiments show the accuracy and effectiveness of phase-field models.
文摘We propose a model for studying binary fluids based on the mesoscopic molecular simulation technique known as multiparticle collision, where the space and state variables are continuous, and time is discrete. We include a repulsion rule to simulate segregation processes that does not require calculation of the interaction forces between particles, so binary fluids can be described on a mesoscopic scale. The model is conceptually simple and computationally efficient; it maintains Galilean invariance and conserves the mass and energy in the system at the micro- and macro-scale, whereas momentum is conserved globally. For a wide range of temperatures and densities, the model yields results in good agreement with the known properties of binary fluids, such as the density profile, interface width, phase separation, and phase growth. We also apply the model to the study of binary fluids in crowded environments with consistent results.
文摘Background： We aimed to use the animal model of dynamic fixation to examine the interaction of the pedicle screw surface with sun＇ounding bone, and determine whether pedicle screws achieve good mechanical stability in the vertebrae. Methods： Twenty-four goats aged 2-3 years had Cosmic pedicle screws implanted into both sides of the L2-L5 pedicles. Twelve goats in the bilateral dynamic fixation group had fixation rods implanted in L2-L3 and L4-L5. Twelve goats in the unilateral dynamic fixation group had fixation rods randomly fixed on one side of the lumbar spine. The side that was not implanted with fixation rods was used as a static control group. Results： In the static control group, new bone was formed around the pedicle screw and on the screw surthce. In the unilateral and bilateral dynamic fixation groups, large amounts of connective tissue formed between and around the screw threads, with no new bone formation on the screw surlhce; the pedicle screws were loose after the fixed rods were removed. The bone mineral density and morphological parameters of the region of interest （ROI） in the unilateral and bilateral dynamic fixation group were not significantly different （P 〉 0.05）, but were lower in the fixed groups than the static control group （P 〈 0.05）. This showed the description bone of the ROI in the static control group was greater than in the fixation groups. Under loading conditions, the pedicle screw maximum pull force was not significantly different between the bilateral and unilateral dynamic fixation groups （P 〉 0.05）： however the maximum pull force of the fixation groups was significantly less than the static control group （P 〈 0.01 ）. Conclusions： Fibrous connective tissue formed at the bone-screw interface tinder unilateral and bilateral pedicle dynamic fixation, and the pedicle screws lost mechanical stability in the vertebrae.
基金supported in part by the RGC under Grant DAG09/10.SC02supported in part by the ONR grant N00014-02-1-0090in part by the NSF grant DMS0811254.
文摘We develop an efficient numerical method to compute single slit or double slit diffraction patterns from high frequency wave in inhomogeneous media.We approximate the high frequency asymptotic solution to the Helmholtz equation using the Eulerian Gaussian beam summation proposed in[20,21].The emitted rays from a slit are embedded in the phase space using an open segment.The evolution of this open curve is accurately computed using the recently developed Grid Based Particle Method[24]which results in a very efficient computational algorithm.Following the grid based particle method we proposed in[23,24],we represent the open curve or the open surface by meshless Lagrangian particles sampled according to an underlying fixed Eulerian mesh.The end-points of the open curve are tracked explicitly and consistently with interior particles.To construct the overall wavefield,each of these sampling particles also carry necessary quantities that are obtained by solving advection-reaction equations.Numerical experiments show that the resulting method can model diffraction patterns in inhomogeneous media accurately,even in the occurrence of caustics.
