Theoretical insights into effects of molar ratios on stabilities, mechanical properties and detonation performance of CL-20/RDX cocrystal explosives by molecular dynamics simulation

The CL-20/RDX cocrystal models with different molar ratios were established by substitution method. Molecular dynamics (MD) simulation method was applied to investigate the influences of molar ratios on mechanical properties, stabilities and detonation performance of CL-20/RDX cocrystal explosives. The mechanical properties, binding energies and detonation parameters of different cocrystal explosives were got and compared.467