TY - JOUR
T1 - Atomistically informed multiscale modeling of radially grown nanocomposite using a continuum damage mechanics approach
AU - Venkatesan, Karthik Rajan
AU - Subramanian, Nithya
AU - Rai, Ashwin
AU - Chattopadhyay, Aditi
N1 - Funding Information:
This research is supported by the Office of Naval Research , 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:
© 2018 Elsevier Ltd
PY - 2019/2
Y1 - 2019/2
N2 - An atomistically-informed multiscale modeling framework to investigate damage evolution and failure in radially-grown carbon nanotube (CNT) architecture is detailed in this paper. Molecular dynamics (MD) simulations are performed to investigate the effects of nano-reinforcements on the elastic-plastic characteristics of the constituent interphase in the radially-grown nanocomposite. An interphase damage model is developed using the continuum damage mechanics approach with damage evolution equations derived using atomistic simulations. The developed damage model is integrated with a high-fidelity micromechanical analysis and captures the underlying physical behavior that could be attributed to the enhancement of the out-of-plane properties at higher length scales. The mechanical properties of the nanocomposite obtained from micromechanical simulations are compared to experimental values reported in the literature, to validate the developed modeling framework. Conclusions are presented by comparing the material response of radially-grown CNT architectures with the traditional fiber reinforced polymer (FRP) with dispersed CNT architecture.
AB - An atomistically-informed multiscale modeling framework to investigate damage evolution and failure in radially-grown carbon nanotube (CNT) architecture is detailed in this paper. Molecular dynamics (MD) simulations are performed to investigate the effects of nano-reinforcements on the elastic-plastic characteristics of the constituent interphase in the radially-grown nanocomposite. An interphase damage model is developed using the continuum damage mechanics approach with damage evolution equations derived using atomistic simulations. The developed damage model is integrated with a high-fidelity micromechanical analysis and captures the underlying physical behavior that could be attributed to the enhancement of the out-of-plane properties at higher length scales. The mechanical properties of the nanocomposite obtained from micromechanical simulations are compared to experimental values reported in the literature, to validate the developed modeling framework. Conclusions are presented by comparing the material response of radially-grown CNT architectures with the traditional fiber reinforced polymer (FRP) with dispersed CNT architecture.
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U2 - 10.1016/j.carbon.2018.10.051
DO - 10.1016/j.carbon.2018.10.051
M3 - Article
AN - SCOPUS:85056003230
SN - 0008-6223
VL - 142
SP - 420
EP - 429
JO - Carbon
JF - Carbon
ER -