Atomic oxygen erosion mechanism of polyimide via reactive molecular dynamics simulation and density functional theory calculation
Yanwei Gong, Guixiang Li, Yukun Pan, Hao Tian, Bo Niu, Yue Xing, Xiubing Liang, Yayun Zhang, Donghui Long
Topics & Concepts
Density functional theoryPolyimideMolecular dynamicsAtomic oxygenErosionChemical physicsMaterials scienceMechanism (biology)Computational chemistryReaction mechanismOxygenChemistryComposite materialPhysicsCatalysisOrganic chemistryLayer (electronics)Quantum mechanicsBiologyPaleontologySynthesis and properties of polymersFuel Cells and Related MaterialsAnalytical Chemistry and Sensors