To predict the sedimentation process practically with high resolution, a large eddy simulation (LES) is performed. A solid/liquid two-phase flow model based on the Euler–Lagrange coupling is developed. Then the discrete element method is applied to calculate inter-particle forces during individual particle motion. The computational grid scale of the Eulerian fluid method is less than the particle diameter to simulate a wake induced by settling particles. Comparison of the simulated and experimental results for the particle sedimentation process verified the performance of the developed numerical model. Finally, the mechanism of the inner structure of the settling particles is investigated from a computational point of view. Consequently, the positive relationship between the turbulence-energy production rate and the inter-particle collisions would be shown.