The semi-autogenous grinding (SAG) mill, renowned for its high efficiency, high production capacity, and low cost, is widely used for crushing and grinding equipment. However, the current understanding of the overall particle behavior influencing its efficiency remains relatively limited, particularly the impact of the shape of SAG mill liners on material behavior. This study employs discrete element method (DEM) simulation technology to investigate the effects of different liner structures on particle trajectories and collision energy, systematically investigating the impact of lifter bars angle, height, and the number of lifter bars on grinding efficiency. The results of single-factor simulations indicate that when the lifter bars height (230 mm) and the number of lifter bars (36) are fixed, the total collision energy dissipation between steel balls and ore, as well as among ore particles, reaches a maximum of 526,069.53 J when the lifter bars angle is 25°. When the lifter bar angle is fixed at 25° and the number of lifter bars is set to 36, the maximum collision energy dissipation of 627,606.06 J occurs at a lifter bars height of 210 mm. When the angle (25°) and height (210 mm) are fixed, the highest energy dissipation of 443,915.37 J is observed with 12 lifter bars. Results from the three-factor, three-level orthogonal experiment reveal that the number of lifter bars exerts the most significant influence on grinding efficiency, followed by the angle and height. The optimal combination is determined to be a 20° angle, 12 lifter bars, and a 210 mm height, resulting in the highest total collision energy dissipation of 700,334 J. This represents an increase of 379,466 J compared to the original SAG mill liner configuration (320,868 J). This research aims to accurately simulate the motion of discrete particles within the mill through DEM simulations, providing a basis for optimizing the operational parameters and structural design of SAG mills.