TY - JOUR
T1 - Multifidelity multiscale modeling of nanocomposites for microstructure and macroscale analysis
AU - Rai, Ashwin
AU - Chattopadhyay, Aditi
N1 - Funding Information:
This research is supported by the Office of Naval Research ( ONR ), Grant No.: N00014-17-1-2037 and N00014-17-1-2029 . The program manager for both grants is Mr. William Nickerson.
Publisher Copyright:
© 2018 Elsevier Ltd
PY - 2018/9/15
Y1 - 2018/9/15
N2 - A high-fidelity multiscale modeling framework that integrates information from atomistic simulations pertaining to polymer chain sliding and bond dissociation is utilized to study damage evolution and failure in carbon nanotube (CNT)-reinforced nanocomposites. The nanocomposite constituents (microfiber, polymer, and CNTs) are explicitly modeled at the microscale using representative unit cells (RUCs). The modeled constituents are subsequently employed in a multiscale framework to describe damage initiation and propagation in these systems under transverse loading. Two CNT architectures, randomly dispersed and radially grown, are investigated. Damage initiation sites and damage evolution trends are studied, with results indicating that the presence of CNTs causes a unique stress state at the sub-microscale. This can lead to accelerated damage progression, which can be mitigated by architectural reconfiguration of the CNTs. Additionally, the Schapery potential theory is extended to develop an orthotropic nonlinear damage model that captures global behavior of the nanocomposite RUCs in a computationally efficient manner, and can be utilized as a numerical surrogate for structural scale nanocomposite analysis.
AB - A high-fidelity multiscale modeling framework that integrates information from atomistic simulations pertaining to polymer chain sliding and bond dissociation is utilized to study damage evolution and failure in carbon nanotube (CNT)-reinforced nanocomposites. The nanocomposite constituents (microfiber, polymer, and CNTs) are explicitly modeled at the microscale using representative unit cells (RUCs). The modeled constituents are subsequently employed in a multiscale framework to describe damage initiation and propagation in these systems under transverse loading. Two CNT architectures, randomly dispersed and radially grown, are investigated. Damage initiation sites and damage evolution trends are studied, with results indicating that the presence of CNTs causes a unique stress state at the sub-microscale. This can lead to accelerated damage progression, which can be mitigated by architectural reconfiguration of the CNTs. Additionally, the Schapery potential theory is extended to develop an orthotropic nonlinear damage model that captures global behavior of the nanocomposite RUCs in a computationally efficient manner, and can be utilized as a numerical surrogate for structural scale nanocomposite analysis.
KW - Carbon nanotubes
KW - Multiscale modeling
KW - Surrogate modeling
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U2 - 10.1016/j.compstruct.2018.05.075
DO - 10.1016/j.compstruct.2018.05.075
M3 - Article
AN - SCOPUS:85047624991
SN - 0263-8223
VL - 200
SP - 204
EP - 216
JO - Composite Structures
JF - Composite Structures
ER -