Thermal decomposition mechanism of nitroglycerin by nano-aluminum hydride (AlH3): ReaxFF-lg molecular dynamics simulation
Ying Zhao, Fengqi Zhao, Siyu Xu, Xue‐Hai Ju
Topics & Concepts
ReaxFFChemistryDissociation (chemistry)Molecular dynamicsThermal decompositionOxygenPassivationDecompositionYield (engineering)Physical chemistryInorganic chemistryComputational chemistryMaterials scienceLayer (electronics)Organic chemistryMetallurgyInteratomic potentialEnergetic Materials and CombustionBoron and Carbon Nanomaterials ResearchSemiconductor materials and devices