Wang tiling for particle heterogeneous materials: algorithms for generation of tiles/cubes via molecular dynamics

Abstract

This paper aims at a reduction of periodicity artefacts during a generation of random heterogeneous material models. The traditional concept of the Periodic Unit Cell is compared with a novel approach of the stochastic Wang tiling. Since modelled structures consist of hard circular/spherical particles in a matrix, the algorithm for placement of inclusions is based on themodifiedmolecular dynamics.We introduce two types ofWang tile boundary conditions to decrease periodicity artefacts. Tested samples for 2D applications form sets of both monodisperse and polydisperse microstructures. The overall volume fractions of these samples are approximately 0.2, 0.4, and 0.6, respectively. The generated sets are analysed both visually and statistically via a two-point probability function. An extension of the stochastic Wang tiling enables to create 3D structures, as well. Therefore, artificial periodicity is also investigated on a 3D sample consisting of spherical particles of identical radii distributed in a continuous phase.