A reactive molecular dynamics simulation of the atomic oxygen impact on poly(p-phenylene-terephthalamide)
Lei Liu, Changqing Miao, Di Song, Jingfu Shi, Wenxiang Liu
Topics & Concepts
ReaxFFMaterials sciencePolymerPoly(p-phenylene)Molecular dynamicsDegradation (telecommunications)Chemical physicsChemical engineeringThermal stabilityComposite materialChemistryComputational chemistryInteratomic potentialTelecommunicationsComputer scienceEngineeringSilicone and Siloxane ChemistryEnergetic Materials and CombustionGas Dynamics and Kinetic Theory