Prediction of the Interfacial Properties of High-Performance Polymers and Flattened CNT-Reinforced Composites Using Molecular Dynamics
| Autor: | Prathamesh Deshpande, William A. Pisani, Swapnil Bamane, Gregory M. Odegard, Sagar Patil, Prashik S. Gaikwad, Matthew S. Radue |
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| Rok vydání: | 2021 |
| Předmět: |
chemistry.chemical_classification
Materials science Tension (physics) Surfaces and Interfaces Interaction energy Epoxy Carbon nanotube Polymer Condensed Matter Physics law.invention Transverse plane Molecular dynamics chemistry law visual_art Electrochemistry visual_art.visual_art_medium General Materials Science Composite material Spectroscopy |
| Zdroj: | Langmuir : the ACS journal of surfaces and colloids. 37(39) |
| ISSN: | 1520-5827 |
| Popis: | The next generation of ultrahigh-strength composites for structural components of vehicles for manned missions to deep space will likely incorporate flattened carbon nanotubes (flCNTs). With a wide range of high-performance polymers to choose from as the matrix component, efficient and accurate computational modeling can be used to efficiently downselect compatible resins and provide critical physical insight into the flCNT/polymer interface. In this study, molecular dynamics simulation is used to predict the interaction energy, frictional sliding resistance, and mechanical binding of flCNT/polymer interfaces for epoxy, bismaleimide (BMI), and benzoxazine high-performance resins. The results indicate that BMI has a stronger interfacial interaction and transverse tension binding with flCNT interfaces, while benzoxazine demonstrates the strongest levels of interfacial friction resistance. |
| Databáze: | OpenAIRE |
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