Thermal Decomposition Mechanism of 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane Accelerated by Nano-Aluminum Hydride (AlH<sub>3</sub>): ReaxFF-Lg Molecular Dynamics Simulation
Ying Zhao, Zheng Mei, Fengqi Zhao, Siyu Xu, Xue‐Hai Ju
Abstract
is larger than that of HMX.
Topics & Concepts
ReaxFFMolecular dynamicsNano-Thermal decompositionMechanism (biology)HydrideMaterials scienceDecompositionChemical physicsChemistryComputational chemistryNanotechnologyPhysical chemistryPhysicsMetallurgyMetalComposite materialOrganic chemistryInteratomic potentialQuantum mechanicsEnergetic Materials and CombustionThermal and Kinetic AnalysisAdvanced Physical and Chemical Molecular Interactions