Mechanism of the reduced shock sensitivity of CL-20/MTNP co-crystals from reactive molecular dynamics simulations

Key Points

• To explore how the co-crystal structure of CL-20/MTNP affects its shock sensitivity through molecular dynamics simulations.
• Used reactive nonequilibrium molecular dynamics simulations
• Analyzed co-crystal structure of CL-20 and MTNP
• Investigated shock response mechanisms
• Identified reduced shock sensitivity in the CL-20/MTNP co-crystals
• Demonstrated mechanisms underlying this reduced sensitivity
• Informed potential safety improvements in explosive materials