Theoretical studies on CL-20/HMX based energetic composites under external electric field

Abstract

The response of various CL-20 and HMX based energetic composites to external electric field was studied by molecular dynamics simulations. The results indicate that structural features, energetic properties and mechanical properties of all energetic systems show great dependence on the additives, ratio of CL-20 to HMX and external electric field. The comprehensive analysis about structural features based on trigger bond length distribution, the maximum bond length of trigger bond and radial distribution functions between O and H atoms suggest that additives, ratio of CL-20 to HMX, and external electric field can effectively adjust and improve the stability for the energetic systems. The discussions about energetic properties based on potential energies, cohesive energy density and interaction energy between two N atoms of N-N trigger bond reveal that stability of the energetic systems can be adjusted by adding additives and changing ratio of CL-20 to HMX, and can be enhanced by the introduction of external electric field. Besides, the studies show that mechanical properties can be significantly adjusted and improved by the proportion of main explosives, additives and an external electric field. Our studies may provide an avenue to adjust and improve the performances of energetic materials.