Two-dimensional disordered granular assemblies composed of 2048 polydispersed frictionless disks are simulated using the discrete element method. The height of the first peak of the pair correlation function, gl, the ...Two-dimensional disordered granular assemblies composed of 2048 polydispersed frictionless disks are simulated using the discrete element method. The height of the first peak of the pair correlation function, gl, the local and global bond orientational parameters ψ6^1 and ψ6^g, and the fluctuations of these parameters decrease with increasing polydispersity s, implying the transition from a polycrystalline state to an amorphous state in the system. As s increases, the peak position of the boson peak aJBp shifts towards a lower frequency and the intensity of the boson peak D（ωBP）/ωBp increases, indicating that the position and the strength of the boson peak are controlled by the polydispersity of the system. Moreover, the inverse of the boson peak intensity ωBP/D（ωBP）, the shear modulus G, and the basin curvature SIS all have a similar dependence on s, implying that the s dependence of the vibrational density of states at low frequencies likely originates from the s dependence of the basin curvature.展开更多
A new model of porous electrodes based on the Gibbs free energy is developed, in which lithium-ion(Liion) diffusion, diffusion-induced stress(DIS), Butler–Volmer(BV) reaction kinetics, and size polydispersity of elec...A new model of porous electrodes based on the Gibbs free energy is developed, in which lithium-ion(Liion) diffusion, diffusion-induced stress(DIS), Butler–Volmer(BV) reaction kinetics, and size polydispersity of electrode particles are considered. The influence of BV reaction kinetics and concentration-dependent exchange current density(ECD) on concentration profile and DIS evolution are numerically investigated. BV reaction kinetics leads to a decrease in Li-ion concentration and DIS. In addition, concentrationdependent ECD results in a decrease in Li-ion concentration and an increase in DIS. Size polydispersity of electrode particles significantly affects the concentration profile and DIS.Optimal macroscopic state of charge(SOC) should consider the influence of the microscopic SOC values and mass fractions of differently sized particles.展开更多
The representative elementary volume （REV） for three-dimensional polydisperse granular packings was determined using discrete element method simulations. Granular mixtures of various sizes and particle size distribu...The representative elementary volume （REV） for three-dimensional polydisperse granular packings was determined using discrete element method simulations. Granular mixtures of various sizes and particle size distributions were poured into a cuboid chamber and subjected to uniaxial compression, Findings showed that the minimum REV for porosity was larger compared with the REV for parameters such as coordination number, effective elastic modulus, and pressure ratio. The minimum REV for porosity and other parameters was found to equal 15,10, and 5 times the average grain diameter, respectively. A study of the influence of sample size on energy dissipation in random packing of spheres has also confirmed that the REV size is about 15 times the average grain diameter. The heterogeneity of systems was found to have no effect on the REV for the parameters of interest for the narrow range of coefficient of uniformity analyzed in this paper. As the REV approach is commonly applied in both experimental and numerical studies, determining minimum REV size for polydisperse granular packings remains a crucial issue.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.11272048,51239006,and 11034010)the European Commission MarieCurie Actions(Grant No.IRSES-294976)the National Basic Research Program of China(Grant No.2010CB731504)
文摘Two-dimensional disordered granular assemblies composed of 2048 polydispersed frictionless disks are simulated using the discrete element method. The height of the first peak of the pair correlation function, gl, the local and global bond orientational parameters ψ6^1 and ψ6^g, and the fluctuations of these parameters decrease with increasing polydispersity s, implying the transition from a polycrystalline state to an amorphous state in the system. As s increases, the peak position of the boson peak aJBp shifts towards a lower frequency and the intensity of the boson peak D（ωBP）/ωBp increases, indicating that the position and the strength of the boson peak are controlled by the polydispersity of the system. Moreover, the inverse of the boson peak intensity ωBP/D（ωBP）, the shear modulus G, and the basin curvature SIS all have a similar dependence on s, implying that the s dependence of the vibrational density of states at low frequencies likely originates from the s dependence of the basin curvature.
基金financial support by the National Natural Science Foundation of China (Grants 11472165, 11332005)
文摘A new model of porous electrodes based on the Gibbs free energy is developed, in which lithium-ion(Liion) diffusion, diffusion-induced stress(DIS), Butler–Volmer(BV) reaction kinetics, and size polydispersity of electrode particles are considered. The influence of BV reaction kinetics and concentration-dependent exchange current density(ECD) on concentration profile and DIS evolution are numerically investigated. BV reaction kinetics leads to a decrease in Li-ion concentration and DIS. In addition, concentrationdependent ECD results in a decrease in Li-ion concentration and an increase in DIS. Size polydispersity of electrode particles significantly affects the concentration profile and DIS.Optimal macroscopic state of charge(SOC) should consider the influence of the microscopic SOC values and mass fractions of differently sized particles.
文摘The representative elementary volume （REV） for three-dimensional polydisperse granular packings was determined using discrete element method simulations. Granular mixtures of various sizes and particle size distributions were poured into a cuboid chamber and subjected to uniaxial compression, Findings showed that the minimum REV for porosity was larger compared with the REV for parameters such as coordination number, effective elastic modulus, and pressure ratio. The minimum REV for porosity and other parameters was found to equal 15,10, and 5 times the average grain diameter, respectively. A study of the influence of sample size on energy dissipation in random packing of spheres has also confirmed that the REV size is about 15 times the average grain diameter. The heterogeneity of systems was found to have no effect on the REV for the parameters of interest for the narrow range of coefficient of uniformity analyzed in this paper. As the REV approach is commonly applied in both experimental and numerical studies, determining minimum REV size for polydisperse granular packings remains a crucial issue.
