As a component directly in contact with materials in the excavation process of the excavator, the structure and performance of the bucket directly affect the efficiency of the excavator. With the increasingly prominent environmental and energy problems, it has become a research difficulty to optimize the bucket structure of excavators so as to reduce the digging resistance and energy consumption of excavators. Therefore, an orthogonal optimization method of bucket structure that couples Adams with EDEM was proposed to explore the excavation performance of buckets with different structures under different geological conditions. The particle size distribution and mass proportion of various ores under different geological conditions were obtained through geological investigation, and particle models with different shapes and sizes were constructed. The friction coefficient and collision recovery coefficient between bucket and ore and between ore and ore were measured using a self-made testing device. The results show that the excavation resistance of the bucket teeth during the excavation process is much greater than that of other components, and optimizing the bucket structure can effectively reduce the excavation resistance of the bucket teeth. Under different geological conditions, the optimization parameter combinations of bucket structure obtained through orthogonal experiments are different. In addition, after structural optimization, the excavation resistance and energy consumption of the bucket were reduced, and the filling rate was also improved.