Temperature effect on mechanical properties of TATB and TATB/F₂₃₁₁ PBX by molecular dynamics simulation

In order to explore temperature effect on mechanical properties and binding energy of polymer-bonded explosive (PBX), a molecular dynamics method and compass force field are adopted to periodically simulate high insensitive explosive TATB (1, 3, 5-triamino-2, 4, 6-trinitrobenzene) crystal and TATB/F₂₃₁₁ consisted of TATB and fluorine rubber (F₂₃₁₁) at different temperatures. The results show that: compared with those of the pure TATB, the mechanical properties of PBX are effectively improved, and its tensile modulus, bulk modulus and shear modulus are reduced evidently. With the increase of temperature, the rigidity of PBX reduces, the elasticity enhances, and the binding energies between TATB and F₂₃₁₁ tend to change complicatedly.