An explanation of the meso-mechanism of sand granular materials for the uniqueness of critical state is presented by means of the discrete element method (DEM) under flexible boundary loading conditions. A series triaxial drainage shear test (DEM simulations), in conjunction with the flexible boundary technique, of were performed for sand samples subjected to various physical states and with different particle size distributions. After carefully investigating the critical status of the results of the numerical calculation, the macroscopic failure modes and shear band evolution of sand, as well as the velocity vector field due to different initial states, were explored and classified. Furthermore, the evaluation rules and discrepancies between overall void ratios of the specimen and local void ratios within the shear band under the critical state were recorded and analyzed. The results proved that a sample with a small void tends to form a shear band, and the rotation of the particles in the non-shear zone is negligible. Conversely, sandy soil with large initial void ratios exhibited limited development of significant shear bands, and the change in void ratios within the shear region and the non-shear area are not significant. Interestingly, the particle-size distribution exerts minimal influence on the evolution rule which the void ratio converges within the shear band and diverges outside the shear region for both multi-stage and single-stage specimens. The void ratio within the shear band and deviator stress ratio tend to exhibit consistently for the same specimen with different initial physical states, thereby distinguishing the critical state. There is a significantly higher change in void ratio within the shear band compared to outside of it, yet it remains stable within a relatively similar range. Additionally, the invariant of the fabric tensor used to describe the critical state characteristics also demonstrates a high degree of consistency within the shear band. These findings strongly indicate that the critical state exists within the shear failure surface and is highly likely to be unique.