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Effect of additives on the interface binding strength of DNAN/HMX melt-cast explosives

ABSTRACT To improve the mechanical property of 2, 4-dinitroanisole (DNAN)/1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) melt-cast explosives, the effects of additives, N-methyl-4-nitroaniline(MNA), polyethylene glycol sorbitanmonostearate-60 (Tween60), and cellulose acetate butyrate (CAB) on the binding energy and mechanical properties were simulated by molecular dynamics. Moreover, to verify the accuracy of the simulation results, the influence of additives on the adhesion work, which was calculated by Young’s equation, was investigated. The simulation results were also verified by Brazilian experiments and scanning electron microscopy (SEM) from macroscopic and microscopic scales, respectively. The results indicate that the binding energy and mechanical properties can be effectively improved by blending with a small amount of additives and CAB is regarded to best improve the mechanical properties of the DNAN/HMX melt-cast explosives. The experimental adhesion works agree well with the simulated outcome. A meaningful finding is that there exists correlation between interface binding energy and the tensile strength, fracture mode of DNAN/HMX melt-cast explosive, the larger binding energy is, the better adhesion of HMX particle to DNAN matrix and the higher tensile strength of the charge is, and the fracture mode of the grain changed from transgranular/intergranular mixed fracture to the pure transgranular fracture.