ReaxFF/lg molecular dynamics study on thermolysis mechanism of NTO/HTPB plastic bonded explosive
Xiaofeng Yuan, Shuhai Zhang, Ruijun Gou, Ying Huang, Hui Bai, Qianjin Guo
Topics & Concepts
ChemistryExplosive materialReaxFFMolecular dynamicsThermal decompositionMechanism (biology)Computational chemistryOrganic chemistryEpistemologyInteratomic potentialPhilosophyEnergetic Materials and CombustionThermal and Kinetic AnalysisCombustion and Detonation Processes