Popis: |
In order to reduce the vulnerability, the responses to shock waves for booster explosives JO9C, JH14, JH6, and insensitive RDX were evaluated using shock wave partition loading test. To explain the experimental results, molecular dynamics simulation, intermolecular interaction and bond dissociation energy (BDE), and shock initiation pressures were evaluated using the B3LYP, MP2 (full), and M06-2X methods with the 6-311 + + G(2df,2p) basis set. The order of the responsivity is JO9C JH14 JH6 insensitive RDX. The binding energies follow the order of JH14* ≈ JO9C* insensitive RDX* JH6*. The interaction energies and BDEs are in RDX∙∙∙(CH |