The vibration-induced deformation of coarse-grained soil originates from the internal particle motions, which are reflected in translational and rotational behaviors controlled by particle shapes. However, the mechanism by which particle shapes affect particle motions in granular systems remains unclear, and diverse shape parameters make it difficult to accurately express the motion behaviors through a single shape parameter. Leveraging the advantages of the discrete element method (DEM) and machine learning methods, therefore, the relationships between shape features and motion behaviors were explored in complex-shaped granular systems. Firstly, a shape database containing hundreds of gravel particles was constructed, from which 10 representative shape parameters were selected to characterize the Form, Sphericity, and Roundness features through hierarchical clustering and principal component analysis. Then, three DEM models, established based on the shape database, were simulated to obtain particles’ translational and rotational indicators. Following, a regression relationship between representative shape parameters and motion indicators was established through the XGBoost model, and the SHAP values were utilized to explore the main shape parameters influencing particle motions. The results indicate that particle motions in the upper layer are primarily influenced by the Form parameter, and the equiaxial shape can promote the vertical displacement. The particle motions in the middle layer are mainly controlled by the Sphericity and Roundness parameters, and the flatness or angular shape has a suppressing effect on the vertical displacement.
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