Molecular dynamics simulation of combustion front propagation in a PETN single crystal

The propagation velocity of the combustion front in PETN was calculated. The kinetics of the chemical reactions occurring during propagation of combustion and dependences of the burning rate on the direction in the crystal and external pressure are discussed. The pressure dependence is linear in the pressure range of up to 30 GPa. The results are compared with experimental data and ab initio calculations.     

Influence of the mass fraction of oxide in aluminum nanoparticles on the explosive decomposition threshold and light absorption efficiency in PETN-based compounds

Pulsed laser initiation is used to experimentally investigate the thresholds of explosive decomposition of PETN-based compounds with aluminum nanoparticle inclusions depending on the core-shell (Al/Al₂O₃) mass ratio in the particle. It is found that, with decreasing mass fraction of Al from 74 to 13%, the explosive decomposition threshold increases by a factor of 12.5. Light absorption efficiency calculations for the core-shell system performed by the Aden-Kerker method for Al/Al₂O₃ inclusions in PETN show that this efficiency decreases with decreasing mass of metal in the particle. The experimental and theoretical results can be regarded as an additional confirmation of the hot-spot concept of laser initiation of PETN containing nanoscale inclusions of metals.