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Comprehensive theoretical study on safety performance and mechanical properties of 3-nitro-1,2,4-triazol-5-one (NTO)–based polymer-bonded explosives (PBXs) via molecular dynamics simulation

Ying Huang, Ruijun Gou, Shuhai Zhang, Xiaofeng Yuan, Yahong Chen

2022Journal of Molecular Modeling11 citationsDOI

Topics & Concepts

Materials scienceElastomerPolymerPolybutadieneMolecular dynamicsPolymer chemistryChemical engineeringComposite materialCopolymerComputational chemistryChemistryEngineeringEnergetic Materials and CombustionThermal and Kinetic AnalysisCombustion and Detonation Processes
Comprehensive theoretical study on safety performance and mechanical properties of 3-nitro-1,2,4-triazol-5-one (NTO)–based polymer-bonded explosives (PBXs) via molecular dynamics simulation | Litcius