Microstructural characterization of DEM-based random packings of monodisperse and polydisperse non-convex particles.

Abstract

Understanding of hard particles in morphologies and sizes on microstructures of particle random packings is of significance to evaluate physical and mechanical properties of many discrete media, such as granular materials, colloids, porous ceramics, active cells, and concrete. The majority of previous lines of research mainly dedicated microstructure analysis of convex particles, such as spheres, ellipsoids, spherocylinders, cylinders, and convex-polyhedra, whereas little is known about non-convex particles that are more close to practical discrete objects in nature. In this study, the non-convex morphology of a three-dimensional particle is devised by using a mathematical-controllable parameterized method, which contains two construction modes, namely, the uniformly distributed contraction centers and the randomly distributed contraction centers. Accordingly, three shape parameters are conceived to regulate the particle geometrical morphology from a perfect sphere to arbitrary non-convexities. Random packing models of hard non-convex particles with mono-/poly-dispersity in sizes are then established using the discrete element modeling Diverse microstructural indicators are utilized to characterize configurations of non-convex particle random packings. The compactness of non-convex particles in packings is characterized by the random close packing fraction fd and the corresponding average coordination number Z. In addition, four statistical descriptors, encompassing the radial distribution function g(r), two-point probability function S2(i)(r), lineal-path function L(i)(r), and cumulative pore size distribution function F(δ), are exploited to demonstrate the high-order microstructure information of non-convex particle random packings. The results demonstrate that the particle shape and size distribution have significant effects on Z and fd; the construction mode of the randomly distributed contraction centers can yield higher fd than that of the uniformly distributed contraction centers, in which the upper limit of fd approaches to 0.632 for monodisperse sphere packings. Moreover, non-convex particles of sizes following the famous Fuller distribution of the power-law distribution of the exponent q = 2.5, have the highest fd (≈0.761) with respect to other q. In contrast, the particle shapes have an almost negligible effect on the four statistical descriptors, but they are remarkably sensitive to particle packing fraction fp and size distribution. The results can provide sound guidance for custom-design of granular media by tailoring specific microstructures of particles.