Abstract The irregular shape of the sample can significantly affect the compression process. Establishing a numerical model of specimens based on real meso-structure is challenging because of the irregularity and the heterogeneity. This paper aimed to establish the three-dimensional numerical model based on real meso-structure using Rock Failure Process Analysis. We simulated the mechanical properties and deformation failure law of sandstone particles with different shapes under uniaxial compression. The effects of different shapes and heterogeneity on the mechanical behavior and fracture process of sandstone were studied. Furthermore, we discussed strength characteristics and failure modes of different particle shapes. Our results show that the stress–strain curve of the specimens has brittleness-ductility under uniaxial compression. Meanwhile, as stress increases, tensile failure accumulates in rocks, resulting in the macroscopic shear crack zone. The peak strength of sandstone specimens with different shapes decreases by increasing the k value. Moreover, the specimen fracture showed an obvious shape effect, and the heterogeneity in the breaking process determines the crack propagation path. The current findings may play an important role in the crushing method and energy-saving of rock mining.
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