Low-temperature carbonization of polyacrylonitrile/graphene carbon fibers: A combined ReaxFF molecular dynamics and experimental study
Siavash Rajabpour, Qian Mao, Zan Gao, Mahdi Khajeh Talkhoncheh, Jiadeng Zhu, Yosyp Schwab, Małgorzata Kowalik, Xiaodong Li, Adri C. T. van Duin
Topics & Concepts
PolyacrylonitrileReaxFFCarbonizationMolecular dynamicsGrapheneMaterials scienceComposite materialCarbon fibersNanotechnologyChemical engineeringPolymerComputational chemistryChemistryComposite numberScanning electron microscopeInteratomic potentialEngineeringFiber-reinforced polymer compositesGraphene research and applicationsPolymer crystallization and properties