Diffusion-limited aggregation （DLA） assumes that particles perform pure random walk at a finite tem- perature and aggregate when they come close enough and stick together. Although it is well known that DLA in two d...Diffusion-limited aggregation （DLA） assumes that particles perform pure random walk at a finite tem- perature and aggregate when they come close enough and stick together. Although it is well known that DLA in two dimensions results in a ramified fractal structure, how the particle shape influences the formed morphology is still un- clear. In this work, we perform the off-lattice two-dimensional DLA simulations with different particle shapes of triangle, quadrangle, pentagon, hexagon, and octagon, respectively, and compare with the results for circular particles. Our results indicate that different particle shapes only change the local structure, but have no effects on the global structure of the formed fractal duster. The local compactness decreases as the number of polygon edges increases.展开更多
Lithium metal anode is a promising electrode with high theoretical specific capacity and low electrode potential.However,its unstable interface and low Coulombic efficiency,resulting from the dendritic growth of lithi...Lithium metal anode is a promising electrode with high theoretical specific capacity and low electrode potential.However,its unstable interface and low Coulombic efficiency,resulting from the dendritic growth of lithium,limits its commercial application.PIM-1(PIM:polymer of intrinsic microporosity),which is a polymer with abundant micropores,exhibits high rigidity and flexibility with contorted spirocenters in the backbone,and is an ideal candidate for artificial solid electrolyte interphases(SEI).In this work,a PIM-1 membrane was synthesized and fabricated as a protective membrane on the surface of an electrode to facilitate the uniform flux of Li ions and act as a stable interface for the lithium plating/stripping process.Nodule-like lithium with rounded edges was observed under the PIM-1 membrane.The Li@PIM-1 electrode delivered a high average Coulombic efficiency(99.7%),excellent cyclability(80%capacity retention rate after 600 cycles at 1 C),and superior rate capability(125.3 m Ah g-1 at 10 C).Electrochemical impedance spectrum(EIS)showed that the PIM-1 membrane could lower the diffusion rate of Li+significantly and change the rate-determining step from charge transfer to Li+diffusion.Thus,the PIM-1 membrane is proven to act as an artificial SEI to facilitate uniform and stable deposition of lithium,in favor of obtaining a compact and dense Li-plating pattern.This work extends the application of PIMs in the field of lithium batteries and provides ideas for the construction of artificial SEI.展开更多
Determining the rate of asphaltene particle growth is one of the main problems in modeling of asphaltene precipitation and deposition.In this paper,the kinetics of asphaltene aggregation under different precipitant co...Determining the rate of asphaltene particle growth is one of the main problems in modeling of asphaltene precipitation and deposition.In this paper,the kinetics of asphaltene aggregation under different precipitant concentrations have been studied.The image processing method was performed on the digital photographs that were taken by a microscope as a function of time to determine the asphaltene aggregation growth mechanisms.The results of image processing by MATLAB software revealed that the growth of asphaltene aggregates is strongly a function of time.Different regions could be recognized during asphaltene particle growth including reaction-and diffusion-limited aggregation followed by reaching the maximum asphaltene aggregate size and start of asphaltene settling and the final equilibrium.Modeling has been carried out to predict the growth of asphaltene particle size based on the fractal theory.General equations have been developed for kinetics of asphaltene aggregation for reaction-limited aggregation and diffusion-limited aggregation.The maximum size of asphaltene aggregates and settling time were modeled by using force balance,acting on asphaltene particles.Results of modeling show a good agreement between laboratory measurements and model calculations.展开更多
Systematic CR-39 bulk etching experiments were conducted over a wide range of concentrations(2–30 N)of NaOH-based etchant.Critical analysis and a deep discussion of the results are presented.A comprehensive nuclear t...Systematic CR-39 bulk etching experiments were conducted over a wide range of concentrations(2–30 N)of NaOH-based etchant.Critical analysis and a deep discussion of the results are presented.A comprehensive nuclear track chemical etching data bank was developed.Three regimes of CR-39 bulk etching were identified.Regime I spans etchant concentrations from 2 to 12 N.Regime II spans concentrations from 12 to 25 N.We call this the dynamic bulk etching regime.Regime III is for concentrations greater than 25 N.In this regime,the bulk etch rate is saturated with respect to the etchant concentration.This classification is discussed and explained.The role of ethanol in NaOH-based etchants is explored and discussed.A parameter called the “reduced bulk etch rate” is defined here,which helps in analyzing the dependence of bulk etching on the amount of ethanol in the etchant.The bulk etch rate shows a natural logarithmic dependence on the density of ethanol in the etchant.展开更多
The structure transitions in cluster-cluster aggregation (CCA) and diffusion-limited aggregation (DLA) under external electric fields have been investigated by computer simulations. With the increase of external elect...The structure transitions in cluster-cluster aggregation (CCA) and diffusion-limited aggregation (DLA) under external electric fields have been investigated by computer simulations. With the increase of external electric field, there exists a structure transition from disorder to order, i. e., the aggregates change from fractals of diffusion-limited CCA and DLA to the electrorheological chains parallel to electric field. Pair distribution shows, the system changes from local order to long-range order gradually with the external field rising.展开更多
Management of groundwater resources and remediation of groundwater pollution require reliable quantification of contaminant dynamics in natural aquifers, which can involve complex chemical dynamics and challenge tradi...Management of groundwater resources and remediation of groundwater pollution require reliable quantification of contaminant dynamics in natural aquifers, which can involve complex chemical dynamics and challenge traditional modeling approaches. The kinetics of chemical reactions in groundwater are well known to be controlled by medium heterogeneity and reactant mixing, motivating the development of particle-based Lagrangian approaches. Previous Lagrangian solvers have been limited to fundamental bimolecular reactions in typically one-dimensional porous media. In contrast to other existing studies, this study developed a fully Lagrangian framework, which was used to simulate diffusion-controlled, multi-step reactions in one-, two-, and three-dimensional porous media. The interaction radius of a reactant molecule, which controls the probability of reaction, was derived by the agent-based approach for both irreversible and reversible reactions. A flexible particle tracking scheme was then developed to build trajectories for particles undergoing mixing-limited, multi-step reactions. The simulated particle dynamics were checked against the kinetics for diffusion-controlled reactions and thermodynamic wellmixed reactions in one-and two-dimensional domains. Applicability of the novel simulator was further tested by(1) simulating precipitation of calcium carbonate minerals in a two-dimensional medium, and(2) quantifying multi-step chemical reactions observed in the laboratory. The flexibility of the Lagrangian simulator allows further refinement to capture complex transport affecting chemical mixing and hence reactions.展开更多
A new kind of multifractal is constructed by fractional Fourier transform of Cantor sets. The wavelet transform modulus maxima method is applied to calculate the singularity spectrum under an operational definition of...A new kind of multifractal is constructed by fractional Fourier transform of Cantor sets. The wavelet transform modulus maxima method is applied to calculate the singularity spectrum under an operational definition of multifractal. In particular, an analysing procedure to determine the spectrum is suggested for practice. Nonanalyticities of singularity spectra or phase transitions are discovered, which are interpreted as some indications on the range of Boltzmann temperature q, on which the scaling relation of partition function holds.展开更多
Various fractal morphologies are obtained by introducing noise reduc-tion, tansential and radial probabilities into DLA (diffusion-limited aggregation)medel. As the noise is reduced, perimeter sites with extremely sm...Various fractal morphologies are obtained by introducing noise reduc-tion, tansential and radial probabilities into DLA (diffusion-limited aggregation)medel. As the noise is reduced, perimeter sites with extremely small values of lo-cal field gradient ar展开更多
How to regulate the supramolecular structures in the assembly of graphene quantum dots(GQDs)is still a great challenge to be overcome.Herein,the GQDs of 1-3 layers with high quality are synthesized from the new precur...How to regulate the supramolecular structures in the assembly of graphene quantum dots(GQDs)is still a great challenge to be overcome.Herein,the GQDs of 1-3 layers with high quality are synthesized from the new precursor m-trihydroxybenzene in a green method.More importantly,a strategy for designing the supramolecular structures of GQDs is demonstrated,and the novel supramolecular morphologies of GQDs have been constructed for the first time.Moreover,the supramolecular morphologies of GQDs can be well controlled by regulating the preparation conditions,and the formation mechanism of the branch-like supramolecular structure has been explained by the the diffusion-limited aggregation(DLA)model.This work not only develops a new precoursor to synthesize GQDs,but also opens up an effective route toform the polymorphic supermolecules,thus greatly facilitating their potential applications.展开更多
Dendritic grains are the most often observed microstructure in metals and alloys. In the past decade, more and more attention has been paid to the modeling and simulation of dendritic microstructures. This paper des...Dendritic grains are the most often observed microstructure in metals and alloys. In the past decade, more and more attention has been paid to the modeling and simulation of dendritic microstructures. This paper describes a modified diffusion-limited aggregation model to simulate the complex shape of the dendrite grains during metal solidification. The fractal model was used to simulate equiaxed dendrite growth. The fractal dimensions of simulated Al alloy structures range from 1.63-1.88 which compares well with the experimentally-measured fractal dimension of 1.85; therefore, the model accurately predicts not only the dendritic structure morphology, but also the fractal dimension of the dendrite structure formed during solidification.展开更多
基金Supported by the Hundred Talent Program of the Chinese Academy of Sciences (CAS)the National Natural Science Foundation of China under Grant Nos. 10974208, 11121403, 1083401401, and 91027045
文摘Diffusion-limited aggregation （DLA） assumes that particles perform pure random walk at a finite tem- perature and aggregate when they come close enough and stick together. Although it is well known that DLA in two dimensions results in a ramified fractal structure, how the particle shape influences the formed morphology is still un- clear. In this work, we perform the off-lattice two-dimensional DLA simulations with different particle shapes of triangle, quadrangle, pentagon, hexagon, and octagon, respectively, and compare with the results for circular particles. Our results indicate that different particle shapes only change the local structure, but have no effects on the global structure of the formed fractal duster. The local compactness decreases as the number of polygon edges increases.
基金supported by the Opening Project(SKLACPS-C-21)of the State Key Laboratory of Advanced Chemical Power Source,Guizhou Meiling Power Sources Co.,Ltd.the Program for Innovative and Entrepreneurial team in Zhuhai(ZH01110405160007PWC).
文摘Lithium metal anode is a promising electrode with high theoretical specific capacity and low electrode potential.However,its unstable interface and low Coulombic efficiency,resulting from the dendritic growth of lithium,limits its commercial application.PIM-1(PIM:polymer of intrinsic microporosity),which is a polymer with abundant micropores,exhibits high rigidity and flexibility with contorted spirocenters in the backbone,and is an ideal candidate for artificial solid electrolyte interphases(SEI).In this work,a PIM-1 membrane was synthesized and fabricated as a protective membrane on the surface of an electrode to facilitate the uniform flux of Li ions and act as a stable interface for the lithium plating/stripping process.Nodule-like lithium with rounded edges was observed under the PIM-1 membrane.The Li@PIM-1 electrode delivered a high average Coulombic efficiency(99.7%),excellent cyclability(80%capacity retention rate after 600 cycles at 1 C),and superior rate capability(125.3 m Ah g-1 at 10 C).Electrochemical impedance spectrum(EIS)showed that the PIM-1 membrane could lower the diffusion rate of Li+significantly and change the rate-determining step from charge transfer to Li+diffusion.Thus,the PIM-1 membrane is proven to act as an artificial SEI to facilitate uniform and stable deposition of lithium,in favor of obtaining a compact and dense Li-plating pattern.This work extends the application of PIMs in the field of lithium batteries and provides ideas for the construction of artificial SEI.
文摘Determining the rate of asphaltene particle growth is one of the main problems in modeling of asphaltene precipitation and deposition.In this paper,the kinetics of asphaltene aggregation under different precipitant concentrations have been studied.The image processing method was performed on the digital photographs that were taken by a microscope as a function of time to determine the asphaltene aggregation growth mechanisms.The results of image processing by MATLAB software revealed that the growth of asphaltene aggregates is strongly a function of time.Different regions could be recognized during asphaltene particle growth including reaction-and diffusion-limited aggregation followed by reaching the maximum asphaltene aggregate size and start of asphaltene settling and the final equilibrium.Modeling has been carried out to predict the growth of asphaltene particle size based on the fractal theory.General equations have been developed for kinetics of asphaltene aggregation for reaction-limited aggregation and diffusion-limited aggregation.The maximum size of asphaltene aggregates and settling time were modeled by using force balance,acting on asphaltene particles.Results of modeling show a good agreement between laboratory measurements and model calculations.
文摘Systematic CR-39 bulk etching experiments were conducted over a wide range of concentrations(2–30 N)of NaOH-based etchant.Critical analysis and a deep discussion of the results are presented.A comprehensive nuclear track chemical etching data bank was developed.Three regimes of CR-39 bulk etching were identified.Regime I spans etchant concentrations from 2 to 12 N.Regime II spans concentrations from 12 to 25 N.We call this the dynamic bulk etching regime.Regime III is for concentrations greater than 25 N.In this regime,the bulk etch rate is saturated with respect to the etchant concentration.This classification is discussed and explained.The role of ethanol in NaOH-based etchants is explored and discussed.A parameter called the “reduced bulk etch rate” is defined here,which helps in analyzing the dependence of bulk etching on the amount of ethanol in the etchant.The bulk etch rate shows a natural logarithmic dependence on the density of ethanol in the etchant.
文摘The structure transitions in cluster-cluster aggregation (CCA) and diffusion-limited aggregation (DLA) under external electric fields have been investigated by computer simulations. With the increase of external electric field, there exists a structure transition from disorder to order, i. e., the aggregates change from fractals of diffusion-limited CCA and DLA to the electrorheological chains parallel to electric field. Pair distribution shows, the system changes from local order to long-range order gradually with the external field rising.
基金supported by the National Natural Science Foundation of China(Grants No.41330632,41628202,and 11572112)
文摘Management of groundwater resources and remediation of groundwater pollution require reliable quantification of contaminant dynamics in natural aquifers, which can involve complex chemical dynamics and challenge traditional modeling approaches. The kinetics of chemical reactions in groundwater are well known to be controlled by medium heterogeneity and reactant mixing, motivating the development of particle-based Lagrangian approaches. Previous Lagrangian solvers have been limited to fundamental bimolecular reactions in typically one-dimensional porous media. In contrast to other existing studies, this study developed a fully Lagrangian framework, which was used to simulate diffusion-controlled, multi-step reactions in one-, two-, and three-dimensional porous media. The interaction radius of a reactant molecule, which controls the probability of reaction, was derived by the agent-based approach for both irreversible and reversible reactions. A flexible particle tracking scheme was then developed to build trajectories for particles undergoing mixing-limited, multi-step reactions. The simulated particle dynamics were checked against the kinetics for diffusion-controlled reactions and thermodynamic wellmixed reactions in one-and two-dimensional domains. Applicability of the novel simulator was further tested by(1) simulating precipitation of calcium carbonate minerals in a two-dimensional medium, and(2) quantifying multi-step chemical reactions observed in the laboratory. The flexibility of the Lagrangian simulator allows further refinement to capture complex transport affecting chemical mixing and hence reactions.
文摘A new kind of multifractal is constructed by fractional Fourier transform of Cantor sets. The wavelet transform modulus maxima method is applied to calculate the singularity spectrum under an operational definition of multifractal. In particular, an analysing procedure to determine the spectrum is suggested for practice. Nonanalyticities of singularity spectra or phase transitions are discovered, which are interpreted as some indications on the range of Boltzmann temperature q, on which the scaling relation of partition function holds.
文摘Various fractal morphologies are obtained by introducing noise reduc-tion, tansential and radial probabilities into DLA (diffusion-limited aggregation)medel. As the noise is reduced, perimeter sites with extremely small values of lo-cal field gradient ar
基金the work from the National Natural Science Foundation of China(No.21805166)the 111 Project of Hubei Province(No.D20015)Foundation of Science and Technology Bureau of Yichang City(No.A18-302-a07).
文摘How to regulate the supramolecular structures in the assembly of graphene quantum dots(GQDs)is still a great challenge to be overcome.Herein,the GQDs of 1-3 layers with high quality are synthesized from the new precursor m-trihydroxybenzene in a green method.More importantly,a strategy for designing the supramolecular structures of GQDs is demonstrated,and the novel supramolecular morphologies of GQDs have been constructed for the first time.Moreover,the supramolecular morphologies of GQDs can be well controlled by regulating the preparation conditions,and the formation mechanism of the branch-like supramolecular structure has been explained by the the diffusion-limited aggregation(DLA)model.This work not only develops a new precoursor to synthesize GQDs,but also opens up an effective route toform the polymorphic supermolecules,thus greatly facilitating their potential applications.
基金Supported by the National Natural Science Foundation of China (Nos. 59990470-3 and 50275081) the National Key Basic+2 种基金 Research PrioritiesPrograme of China(No. G2000067208-3) the Young Teacher Foundation of the Department of Mechanical
文摘Dendritic grains are the most often observed microstructure in metals and alloys. In the past decade, more and more attention has been paid to the modeling and simulation of dendritic microstructures. This paper describes a modified diffusion-limited aggregation model to simulate the complex shape of the dendrite grains during metal solidification. The fractal model was used to simulate equiaxed dendrite growth. The fractal dimensions of simulated Al alloy structures range from 1.63-1.88 which compares well with the experimentally-measured fractal dimension of 1.85; therefore, the model accurately predicts not only the dendritic structure morphology, but also the fractal dimension of the dendrite structure formed during solidification.
