Abstract: To take into account the penetration capability and deflagration damage effects of the reactive composite jet, a new structure of the reactive material composite liner shaped charge was proposed. Using the orthogonal optimization method, the structure of composite liner shaped charge was optimized based on the platform of Autodyn-2D. The influence laws of the total thickness of the composite liner, the diameter ratio of the inner and outer liner, the thickness ratio of the inner and outer liner, the cone angle of the composite liner, and the stand-off on the penetration depth, hole-diameter on the target surface, the quantity of reactive materials entering into the target, and the average entering depth of reactive materials were studied. A new structure of the reactive composite liner was optimized. An experiment of the new type of shaped charge against into the concrete was carried out. The experimental results of the penetration depth was in good agreement with the simulation. In addition, the experimental results also show that a larger caving zone and penetration hole-diameter can be formed on the concrete. These phenomena indicate that the reactive materials experience a violent deflagration, which will cause the secondary expansion cratering effect.