TY - GEN
T1 - Computational analysis of thermal degradation of carbon nanotube reinforced nano-engineered composites
AU - Koo, Bonsung
AU - Schichtel, Jake
AU - Venkatesan, Karthik Rajan
AU - Chattopadhyay, Aditi
N1 - Funding Information:
This research is supported by the Office of Naval Research (ONR), Grant number: N00014-17-1-2037. The program manager is Mr. William Nickerson. The authors also acknowledge Dr. Anisur Rahman, a technical liaison for this research and the DOD ERDC Supercomputing Resource Center.
Publisher Copyright:
© 2019 by DEStech Publications, Inc. and American Society for Composites. All rights reserved.
PY - 2019
Y1 - 2019
N2 - This paper presents an atomistically informed approach to investigate the effects of temperature on material responses of carbon nanotube (CNT) reinforced nanocomposites. The molecular model of radially grown CNT reinforced polymer composites, also known as fuzzy fiber nanocomposites, has been developed by explicitly modeling the CNT, graphene-based carbon fiber and epoxy-based polymer matrix. A polymeric functional coating for the carbon fiber surface, which serves as a substrate for the CNT growth, is also explicitly modeled. Virtual deformation tests on the molecular model are performed to investigate the variation of mechanical properties at different temperature. The bond dissociation energy (BDE) obtained from the simulations can be directly interpreted as mechanical degradation due to covalent bond breakage. The results show accelerated bond breakage at high temperature. Mechanical instability is observed beyond a specific temperature, which can be correlated with the glass transition temperature of the system. This physics-based understanding of the effects of temperature on critical mechanical properties will be highly valuable for the design optimization of CNT reinforced nano-engineered composites.
AB - This paper presents an atomistically informed approach to investigate the effects of temperature on material responses of carbon nanotube (CNT) reinforced nanocomposites. The molecular model of radially grown CNT reinforced polymer composites, also known as fuzzy fiber nanocomposites, has been developed by explicitly modeling the CNT, graphene-based carbon fiber and epoxy-based polymer matrix. A polymeric functional coating for the carbon fiber surface, which serves as a substrate for the CNT growth, is also explicitly modeled. Virtual deformation tests on the molecular model are performed to investigate the variation of mechanical properties at different temperature. The bond dissociation energy (BDE) obtained from the simulations can be directly interpreted as mechanical degradation due to covalent bond breakage. The results show accelerated bond breakage at high temperature. Mechanical instability is observed beyond a specific temperature, which can be correlated with the glass transition temperature of the system. This physics-based understanding of the effects of temperature on critical mechanical properties will be highly valuable for the design optimization of CNT reinforced nano-engineered composites.
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U2 - 10.12783/asc34/31348
DO - 10.12783/asc34/31348
M3 - Conference contribution
AN - SCOPUS:85088405468
T3 - Proceedings of the American Society for Composites - 34th Technical Conference, ASC 2019
BT - Proceedings of the American Society for Composites - 34th Technical Conference, ASC 2019
A2 - Kalaitzidou, Kyriaki
PB - DEStech Publications
T2 - 34th Technical Conference of the American Society for Composites, ASC 2019
Y2 - 23 September 2019 through 25 September 2019
ER -