A cost-effective computational approach based on molecular dynamics for generating 3D packs of irregularly-shaped grains in a container of complex geometryстатья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 17 октября 2021 г.
Аннотация:The reliable modelling of irregular grain shapes and generating realistic particle packs still remain urgent problems limiting the application of the particle-based numerical techniques in many industries dealing with granular materials. An effective computational approach for generating irregular three-dimensional (3D) grains by dynamic agglomeration of a large number of movable and interacting particles is proposed. The constructed grains are then randomly packed within an arbitrary-shaped container. The molecular dynamics-based concept is used for producing the grains with realistically complex configurations and adjustable shape morphology. The identical molecular dynamics technique coupled with the full six-degree-of-freedom rigid-body dynamics of the agglomerates is applied for grain packing. A database of 3D models of unduplicated irregular particles has been created. Several examples are considered to demonstrate the computational efficiency and controllability of the presented algorithms. The numerically reconstructed packings qualitatively and quantitatively satisfy the desirable properties of the real one in terms of the morphological features, void ratio, size distribution, and generally accepted shape characteristics of the grains (such as aspect ratio, sphericity, roundness, and roughness). Not only statistical, but also physical correspondence is established through the numerical reproduction of the angle of repose tests. An experimental verification of the model is performed.