Litcius/Paper detail

Molecular reaction dynamics simulation of thermal decomposition for aluminiferous RDX composites

Ying Zhao, Fengqi Zhao, Siyu Xu, Xue‐Hai Ju

2020Computational Materials Science39 citationsDOI

Topics & Concepts

ReaxFFMolecular dynamicsThermal decompositionMaterials scienceDecompositionReactivity (psychology)NitrideChemical engineeringDensity functional theoryOxideChemical physicsComposite materialLayer (electronics)Computational chemistryChemistryInteratomic potentialOrganic chemistryMetallurgyMedicineEngineeringAlternative medicinePathologyEnergetic Materials and CombustionThermal and Kinetic AnalysisAdvanced ceramic materials synthesis