Enhancing Na^(+) diffusion dynamics and structural stability of O3-NaMn_(0.5)Ni_(0.5)O_(2)cathode by Sc and Zn dual-substitution

Sc and Zn were introduced into O3-NaMn_(0.5)Ni_(0.5)O_(2)(NaMN)using the combination of solution combustion and solid-state method.The effect of Sc and Zn dual-substitution on Na^(+) diffusion dynamics and structural stability of NaMN was investigated.The physicochemical characterizations suggest that the introduction of Sc and Zn broaden Na^(+) diffusion channels and weaken the Na—O bonds,thereby facilitating the diffusion of sodium ions.Simulations indicate that the Sc and Zn dual-substitution decreases the diffusion barrier of Na-ions and improves the conductivity of the material.The dual-substituted NaMn_(0.5)Ni_(0.4)Sc_(0.04)Zn_(0.04)O_(2)(Na MNSZ44)cathode delivers impressive cycle stability with capacity retention of 71.2%after 200 cycles at 1C and 54.8%after 400 cycles at 5C.Additionally,the full cell paired with hard carbon anode exhibits a remarkable long-term cycling stability,showing capacity retention of 64.1%after 250 cycles at 1C.These results demonstrate that Sc and Zn dual-substitution is an effective strategy to improve the Na^(+) diffusion dynamics and structural stability of NaMN.

Calculation of the coefficient and dynamics of water diffusion in graphite joints

The coefficient and dynamics of water diffusion in adhesive-graphite joints were calculated in-situ with energy dispersive X-ray (EDX) analysis, a method that is significantly simpler than elemental analysis. Water diffusion coefficient and dynamics of adhesive-graphite joints treated by different surface treatment methods were also investigated. Calculation results indicated that the water diffusion rate in adhesive-graphite joints treated by sandpaper was higher than that treated by chemical oxidation or by silane couple agent. Also the durability of graphite joints treated by coupling agent is superior to that treated by chemical oxidation or sandpaper burnishing.

Physical Diffusion and Electron-transfer Dynamics of Electroactive Solutes in Polymer Electrolytes Ⅲ. Effect of the Polymer Solvents

The diffusion coefficients(Dapp) and the heterogeneous electron transfer rate constants(ks)for ferrocene in several polymer solvents were determined by using steady-stae voltammetry. Thetemperature dependence of the two parameters indicates Arrhenius behavior. The polymer solventeffects on diffusion and electron transfer dynamics of ferrocene were discussed

Dynamics of the HBV model with diffusion and time delay

Chronic hepatitis B infection is a major health problem,with approximately 350 million virus carriers worldwide.In Africa,about 30%-60% of children and 60%-100% of adults have

Diffusion behavior of helium in titanium and the effect of grain boundaries revealed by molecular dynamics simulation

The microstructures of titanium（Ti）, an attractive tritium（T） storage material, will affect the evolution process of the retained helium（He）. Understanding the diffusion behavior of He at the atomic scale is crucial for the mechanism of material degradation. The novel diffusion behavior of He has been reported by molecular dynamics（MD） simulation for the bulk hcp-Ti system and the system with grain boundary（GB）. It is observed that the diffusion of He in the bulk hcp-Ti is significantly anisotropic（the diffusion coefficient of the [0001] direction is higher than that of the basal plane）,as represented by the different migration energies. Different from convention, the GB accelerates the diffusion of He in one direction but not in the other. It is observed that a twin boundary（TB） can serve as an effective trapped region for He.The TB accelerates diffusion of He in the direction perpendicular to the twinning direction（TD）, while it decelerates the diffusion in the TD. This finding is attributable to the change of diffusion path caused by the distortion of the local favorable site for He and the change of its number in the TB region.

ADSORPTION DYNAMICS OF MACROPOROUS POLYMERIC ADSORBENT I.The Studies on the Particle Diffusion Mass-Transfer Process

The adsorption dynamics for phenol in aqueous solution of the adsorbent based on polystyrene was studied. In order to distinguish with the Boyd quasi-homogeneous model of the inner structure of ion-exchanger, the particle diffusion model including surface diffusion model and pore diffusion model was suggested which is suitable to the macroporous adsorbent. The diffusiondetermination step of the adsorption process was established and the effective diffusion coefficient was also determined. The influence of surface diffusion and pore diffusion on the particle diffusion rate was investigated qualitatively. All of these were very important to improve the structure of the macroporous adsorbent in order to improve the mass-transfer rate.

ADSORPTION DYNAMICS OF MACROPOROUS POLYMERIC ADSORBENT Ⅱ. The Studies on the Film Diffusion Mass-Transfer Process

The film diffusion mass-transfer process of adsorption of phenol on macroporous polystyrene resin was investigated in detail In order to revise the Boyd film diffusion kinetics equation, the out-surface structure of the macroporous resin and that of gel-type ion-exchange resin was compared and the new film diffusion equation was also suggested. These results showed that the film diffusion was influenced by porosity of the macroporous resin greatly, which differed from the film diffusion behavior of ion-exchange resin obviously.

Physical Diffusion and Electron-transfer Dynamics of Electroactive Solutes in Polymer Electrolytes Ⅰ. Effect of the Nature of Electroactive Solutes

The diffusion coefficients(Dapp) and the heterogeneous electron-transfer rate constants(ks)for ferrocene and its seven derivatives in MPEG/LiClO4 electrolyte were determined by using steadystate voltammetry. The two parameters increase with increasing temperature, indicating Arrhenius behavior. The effects of the nature of electroactive solute molecules on Dapp, ks, and the half-wave potentials(E1/2) are discussed.

Physical Diffusion and Electron-transfer Dynamics of Electroactive Solutes in Polymer Electrolytes Ⅱ. Effect of the Ionic Size of Supporting Electrolytes

The ditheion coefficients(Dapp) and the heterogeneous electron-transfer rate constan(ks)for ferrocene in MPEG/salt electrolytes were determined by using Steady-stae voltammetry. The temperature dependence of the two parameters obeys the Arrhenius equstion. The effect of the ionic size of sir supporting electrolytes on diffusion and electron transfer dynamics of fermcene was discussed

Molecular dynamics simulation of nanoscale surface diffusion of heterogeneous adatoms clusters

Molecular dynamics simulation employing the embedded atom method potential is utilized to investigate nanoscale surface diffusion mechanisms of binary heterogeneous adatoms clusters at 300 K, 500 K, and 700 K. Surface diffusion of heterogeneous adatoms clusters can be vital for the binary island growth on the surface and can be useful for the formation of alloy-based thin film surface through atomic exchange process. The results of the diffusion process show that at 300 K, the diffusion of small adatoms clusters shows hopping, sliding, and shear motion; whereas for large adatoms clusters（hexamer and above）, the diffusion is negligible. At 500 K, small adatoms clusters, i.e., dimer, show almost all possible diffusion mechanisms including the atomic exchange process; however no such exchange is observed for adatoms clusters greater than dimer. At 700 K, the exchange mechanism dominates for all types of clusters, where Zr adatoms show maximum tendency and Ag adatoms show minimum or no tendency toward the exchange process. Separation and recombination of one or more adatoms are also observed at 500 K and 700 K. The Ag adatoms also occupy pop-up positions over the adatoms clusters for short intervals. At 700 K, the vacancies are also generated in the vicinity of the adatoms cluster,vacancy formation, filling, and shifting can be observed from the results.

A rapid and accurate direct measurement method of underground coal seam gas content based on dynamic diffusion theory

Coal seam gas content is frequently measured in quantity during underground coal mining operation and coalbed methane(CBM)exploration as a significant basic parameter.Due to the calculation error of lost gas and residual gas in the direct method,the efficiency and accuracy of the current methods are not inadequate to the large area multi-point measurement of coal seam gas content.This paper firstly deduces a simplified theoretical dynamic model for calculating lost gas based on gas dynamic diffusion theory.Secondly,the effects of various factors on gas dynamic diffusion from coal particle are experimentally studied.And sampling procedure of representative coal particle is improved.Thirdly,a new estimation method of residual gas content based on excess adsorption and competitive adsorption theory is proposed.The results showed that the maximum error of calculating the losing gas content by using the new simplified model is only 4%.Considering the influence of particle size on gas diffusion law,the particle size of the collected coal sample is below 0.25 mm,which improves the measurement speed and reflects the safety representativeness of the sample.The determination time of gas content reduced from 36 to 3 h/piece.Moreover,the absolute error is 0.15–0.50 m^3/t,and the relative error is within 5%.A new engineering method for determining the coal seam gas content is developed according to the above research.

DETERMINATION OF STATIC AND DYNAMIC DIFFUSION COEFFICIENTS OF MOISTURE IN PARTICLEBOARDS

The static and dynamic diffusion coefficients are important coefficients to describe the moisture transfer processes in particleboard. In this paper, the formula of culculating the static and dynamic diffusion coefficients were deduced. At first, the static diffusion coefficients of four kinds of particleboards were determined by using diffusion cup method. The results demonstrated that the static diffusion coefficients parallel to panel surface were 10-20 times as large as that of perpendicular to panel surface for test boards. To determine both dynamic diffusion coefficients and surface emission coefficients of moisture in particleboards in one experimental period, specimens in four different thicknesses of each kind of particleboard were used in the experiment. Then the method of regression was used and the dynamic diffusion coefficients and surface emission coefficients were determined based on the slope and intercept of the regressive line.

Dynamics of Nano-Chain Diffusing in Porous Media

A coarse-grained model is proposed to study the dynamics of a nano-chain diffusing in porous media. The simulation utilizes a hybrid method which combines stochastic rotation dynamics with molecular dynamics. Solvent molecules are explicitly taken into account to represent the hydrodynamic interactions and random fluctuations. The conformation, relaxation, and diffusion properties of a polymer chain are investigated by changing the density degree of the obstacle matrix. It is found that the average size of the chain is a non- monotonic function of the obstacle volume faction Ф. A dense environment may contribute to extending a linear chain, which can be characterized by larger exponents in the corresponding power law. The relaxation behavior of a stretched chain to a steady state shows dramatic crossover from exponent to power-law relaxation when the values of φ are increased. The dependence of the diffusion coefficient on the chain size is also studied. Various kinds of scaling properties are presented and discussed. The results can give additional insight into the density effect of porous media on polymer structure and dynamics.

Onsager principle as a tool for approximation

Onsager principle is the variational principle proposed by Onsager in his celebrated paper on the reciprocal relation.The principle has been shown to be useful in deriving many evolution equations in soft matter physics.Here the principle is shown to be useful in solving such equations approximately.Two examples are discussed：the diffusion dynamics and gel dynamics.Both examples show that the present method is novel and gives new results which capture the essential dynamics in the system.

Theoretical Calculations and Experimental Verification for the Pumping Effect Caused by the Dynamic Micro-tapered Angle

The atomizer with micro cone apertures has advantages of ultra-fine atomized droplets, low power consumption and low temperature rise. The current research of this kind of atomizer mainly focuses on the performance and its application while there is less research of the principle of the atomization. Under the analysis of the dispenser and its micro-tapered aperture＇s deformation, the volume changes during the deformation and vibration of the micro-tapered aperture on the dispenser are calculated by coordinate transformation. Based on the characters of the flow resistance in a cone aperture, it is found that the dynamic cone angle results from periodical changes of the volume of the micro-tapered aperture of the atomizer and this change drives one-way flows. Besides, an experimental atomization platform is established to measure the atomization rates with different resonance frequencies of the cone aperture atomizer. The atomization performances of cone aperture and straight aperture atomizers are also measured. The experimental results show the existence of the pumping effect of the dynamic tapered angle. This effect is usually observed in industries that require low dispersion and micro- and nanoscale grain sizes, such as during production of high-pressure nozzles and inhalation therapy. Strategies to minimize the pumping effect of the dynamic cone angle or improve future designs are important concerns. This research proposes that dynamic micro-tapered angle is an important cause of atomization of the atomizer with micro cone apertures.

Molecular dynamics simulation of diffusion of nanoparticles in mucus

The rapid diffusion of nanoparticles （NPs） through mucus layer is critical for efficient transportation of NPs-loaded drug delivery system. To understand how the physical and surface properties of NPs affect their diffusion in mucus, we have developed a coarse-grained molecular dynamics model to study the diffusion of NPs in modeled mucus layer. Both steric obstruction and hydrodynamic interaction are included in the model capable of capturing the key characteristics of NPs＇ diffusion in mucus. The results show that both particle size and surface properties significantly affect the diffusivities of NPs in mucus. Furthermore, we find rodlike NPs can gain a higher diffusivity than spherical NPs with the same hydrodynamic diameter. In addition, the disturbed environment can enhance the diffusivity of NPs. Our findings can be utilized to design mucus penetrating NPs for targeted drug delivery system.

A NEW DYNAMIC MODEL FOR STUDY OF DISLOCATION PATTERN FORMATION

Based on the principle given in nonlinear diffusion-reaction dynamics, a new dynamic model for dislocation patterning is proposed by introducing a relaxation time to the relation between dislocation density and dislocation flux. The so-called chemical potential like quantities, which appear in the model can be derived from variation principle for free energy functional of dislocated media, where the free energy density function is expressed in terms of not only the dislocation density itself but also their spatial gradients. The Linear stability analysis on the governing equations of a simple dislocation density shows that there exists an intrinsic wave number leading to bifurcation of space structure of dislocation density. At the same time, the numerical results also demonstrate the coexistence and transition between different dislocation patterns.

Study on hydrodynamic diffusion law of the swelling particle slurry in karst pipeline

The swelling particle grouting material has demonstrated remarkable plugging effectiveness in high-pressure and large-flow burst water within karst pipelines.Currently,current research on the rheolog-ical model,flow computation theory,and plugging mechanism of this material is lacking.The conven-tional grouting slurry diffusion process,using the liquid-liquid two-phase flow method,fails to accurately simulate high solubility slurry and particle swelling.To address these limitations,this study established a precise constitutive model to describe the swelling particle slurry diffusion process in dynamic water.Additionally,a coupling calculation method was proposed to analyze the spatiotemporal heterogeneity of viscosity during slurry diffusion by considering the migration of slurry and the changes in viscosity.To investigate the interaction between particle swelling and flow field changes,a Compu-tational Fluid Dynamics-Discrete Element Method(CFD-DEM)coupling model was developed for the diffusion of swelling particle slurry.It is demonstrated that slurry viscosity increases exponentially within the diffusion front as the particle swelling rate rises,and the drag force exhibits an intriguing behavior of initially increasing and then decreasing as the slurry flows through the pipeline.Further-more,the CFD-DEM coupling model proved to be more accurate in describing viscosity distribution and diffusion distance compared to the finite element solution.The primary objective of this paper is to reveal the plugging mechanism and provide theoretical support for the engineering application of the swelling particle grouting material.

A Linearized Adaptive Dynamic Diffusion Finite Element Method for Convection-Diffusion-Reaction Equations

In this paper,we consider a modified nonlinear dynamic diffusion(DD)method for convection-diffusion-reaction equations.This method is free of stabilization parameters and capable of precluding spurious oscillations.We develop a reliable and efficient residual-type a posteriori error estimator,which is robust with respect to the diffusivity parameter.Furthermore,we propose a linearized adaptive DD algorithm based on the a posteriori estimator.Finally,we perform numerical experiments to verify the theoretical analysis and the performance of the adaptive algorithm.

A COUPLED DYNAMIC MODEL OF BRAND ACCEPTANCE AND PROMOTIVE INFORMATION SPREADING

When people try to decide to buy or not to, they are often influenced by both their inherentopinions and the social marketing activities e.g. advertising, social news with strong point of view.Then people will make their final choice, or even convince other people to buy. After all, this is thebrand acceptance formation process. Factually, the dynamics of brand acceptance is essentially aninterwoven dynamics of endogenous opinion dynamics disturbed by an information diffusion process.To have a better understanding of the dynamics of brand acceptance, we propose and analyze a coupledagent-based dynamic model that combines the Majority-Rule-based Voter model in opinion dynamicswith the SI Model for information spreading to analyze the dynamics of brand acceptance in socialmedia. We focus on two important parameters in diffusion dynamics： the decayed transmission rate （fl）and the diffusion frequency （f）. When the system is stable, the order parameter of the system is theduration time （r）. In the absence of opinion interaction, the simulation results indicate that, when abrand tries to occupy a larger market share through social marketing approaches, it is always effectiveto let the opponent to be the propaganda target. While with the Majority-Rule-based Voter Modelincluded, we observe that the opinion interaction could have a dual function, which shows that a brandholding a small market share in the first place needs to adopt diverse marketing approaches accordingto different marketing environment types.