Prediction of the Interfacial Properties of High-Performance Polymers and Flattened CNT-Reinforced Composites Using Molecular Dynamics
Document Type
Article
Publication Date
9-22-2021
Department
Department of Mechanical Engineering-Engineering Mechanics
Abstract
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.
Publication Title
Langmuir : the ACS journal of surfaces and colloids
Recommended Citation
Deshpande, P.,
Radue, M.,
Gaikwad, P.,
Bamane, S.,
Patil, S.,
Pisani, W.,
&
Odegard, G. M.
(2021).
Prediction of the Interfacial Properties of High-Performance Polymers and Flattened CNT-Reinforced Composites Using Molecular Dynamics.
Langmuir : the ACS journal of surfaces and colloids,
37(39), 11526-11534.
http://doi.org/10.1021/acs.langmuir.1c01800
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/15413