scholarly journals Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube–polymer composites

2020 ◽  
Vol 22 (21) ◽  
pp. 12007-12014
Author(s):  
Jacek R. Gołębiowski ◽  
James R. Kermode ◽  
Peter D. Haynes ◽  
Arash A. Mostofi

We use a QM/MM approach to simulate CNT pull-out from crosslinked polyethylene studying how interfacial strength depends on its chemistry.

Author(s):  
Lingyun Jiang ◽  
Chandra Nath ◽  
Johnson Samuel ◽  
Shiv G. Kapoor

During the machining of carbon nanotube (CNT)-polymer composites, the interface plays a critical role in the load transfer between polymer and CNT. Therefore, the interface for these composites has to be explicitly considered in the microstructure-level finite element (FE) machining model, so as to better understand their machinability and the interfacial failure mechanisms. In this study, a microstructure-level FE machining model for CNT-polymer composites has been developed by considering the interface as the third phase, in addition to the polymer and the CNT phases. For the interface, two interfacial properties, viz., interfacial strength and fracture energy have been included. To account for variable temperature and strain rate over the deformation zone during machining, temperature and strain rate-dependent mechanical properties for the interface and the polymer material have also been included in the model. It is found that the FE machining model predicts cutting force within 6% of the experimental values at different machining conditions and CNT loadings. The cutting force data reveals that the model can accurately capture the CNT pull-out/protrusion, and the subsequent surface damage. Simulated surface damage characteristics are supported by the surface topographies and roughness values obtained from the machining experiments. The study suggests that the model can be utilized to design the new generation of CNT-polymer composites with specific interfacial properties that minimize the surface/subsurface damage and improve the surface finish.


2014 ◽  
Author(s):  
Lingyun Jiang ◽  
Chandra Nath ◽  
Johnson Samuel ◽  
Shiv G. Kapoor

During the machining of carbon nanotube (CNT)–polymer composites, the interface plays a critical role in the load transfer between polymer and CNT. Therefore, the interface for these composites has to be explicitly considered in the microstructure–level finite element (FE) machining model, so as to better understand their machinability and the interfacial failure mechanisms. In this study, a microstructure–level FE machining model for CNT–polymer composites has been developed by considering the interface as the third phase, in addition to the polymer and the CNT phases. For the interface, two interfacial properties, viz., interfacial strength and fracture energy have been included. To account for variable temperature and strain rate over the deformation zone during machining, temperature– and strain rate–dependent mechanical properties for the interface and the polymer material have also been included in the model. It is found that the FE machining model predicts cutting force within 6% of the experimental values at different machining conditions and CNT loadings. The cutting force data reveals that the model can accurately capture the CNT pull-out/protrusion, and the subsequent surface damage. Simulated surface damage characteristics are supported by the surface topographies and roughness values obtained from the machining experiments. The study suggests that the model can be utilized to design the new generation of CNT-polymer composites with specific interfacial properties that minimize the surface/subsurface damage and improve the surface finish.


1989 ◽  
Vol 170 ◽  
Author(s):  
Benjamin S. Hsiao ◽  
J. H. Eric

AbstractTranscrystallization of semicrystalline polymers, such as PEEK, PEKK and PPS, in high performance composites has been investigated. It is found that PPDT aramid fiber and pitch-based carbon fiber induce a transcrystalline interphase in all three polymers, whereas in PAN-based carbon fiber and glass fiber systems, transcrystallization occurs only under specific circumstances. Epitaxy is used to explain the surface-induced transcrystalline interphase in the first case. In the latter case, transcrystallization is probably not due to epitaxy, but may be attributed to the thermal conductivity mismatch. Plasma treatment on the fiber surface showed a negligible effect on inducing transcrystallization, implying that surface-free energy was not important. A microdebonding test was adopted to evaluate the interfacial strength between the fiber and matrix. Our preliminary results did not reveal any effect on the fiber/matrix interfacial strength of transcrystallinity.


Nanoscale ◽  
2019 ◽  
Vol 11 (6) ◽  
pp. 2779-2786 ◽  
Author(s):  
Jing Li ◽  
Santiago Orrego ◽  
Junjie Pan ◽  
Peisheng He ◽  
Sung Hoon Kang

We report a facile sacrificial casting–etching method to synthesize nanoporous carbon nanotube/polymer composites for ultra-sensitive and low-cost piezoresistive pressure sensors.


2015 ◽  
Vol 117 (21) ◽  
pp. 214306 ◽  
Author(s):  
Richard J. Castellano ◽  
Cevat Akin ◽  
Gabriel Giraldo ◽  
Sangil Kim ◽  
Francesco Fornasiero ◽  
...  

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