Particle shape is an important factor affecting the strength and deformation of coarse materials in dumps. However, conducting research on particle shape in current laboratory experiments, and there exists no classification standard for the particle shape of the dump. Considering the project on high-bench dump in Jiangxi Province, based on the random particle construction method, this study determined the characteristic particles of coarse grain material in the dumping site by combining field investigation results, large-scale direct shear tests, and numerical analysis. Further, the influence mechanism of coarse grain content and characteristic particles on the mechanical characteristics of the dump were analyzed. The results showed that the increase in coarse grain content enhanced the irregularity of particle shape, increased the internal friction angle between particles, and reduced the cohesion of the dump. Moreover, with increase in the normal stress, the shear strength changed from insignificant to gradually enhanced, although the increasing trend slowed down. The constructed random particle model can well solve the effects of occlusion, nesting, and friction between particles that is neglected by the standard spherical particle model, and the fitting degree is better. The particle characteristics of coarse-grain materials in the dump were primarily block, strip, and flake. The three types of shape characteristics under low normal stress did not affect the mechanical properties of the dump. Further, with the increase in normal stress, the stress-strain curve reflected the shape characteristics and content of the dominant characteristics in the dump. Specifically, the block sample exhibited the dominant characteristics and the most content under the same normal stress, followed by the strip sample, with the flake sample exerting the least influence. The research results provide a theoretical basis for long-term safe operation, disaster monitoring, and early warning of high bench dump.