In order to improve the ability to invade geological materials with high hardness, such as ultra-high strength concrete and high-strength rock, a new type of projectile with a toothed head is designed. Based on the FEM numerical simulation method, the penetration characteristics are studied, and the accuracy of the simulation model is verified by carrying out corresponding experiments. The difference between the penetration ability of the toothed head and the oval head to geological materials is compared, and the penetration mechanism of the toothed head projectile is analyzed. The results show that when the toothed head projectile is rigid, the impact of the toothed head will lead to a pre-damage area of the target in the forward direction, and at the same time, the damage range of the target is reduced. Therefore, the penetration depth of the toothed head projectile is greater than that of the ordinary pointed oval head. When the projectile obliquely penetrates geological materials, the pre-damage zone generated by the toothed head will reduce the asymmetric resistance of the projectile, thereby improving the anti-deflection ability of the toothed head projectile, and its deflection angle is significantly smaller than that of the pointed oval head projectile. Based on the work carried out in this paper, more efficient technical means and more accurate calculation methods are provided for the destruction of deep super-hard geological materials.