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Intrinsic defect-induced tailoring of interfacial shear strength in CNT/polymer nanocomposites

Title
Intrinsic defect-induced tailoring of interfacial shear strength in CNT/polymer nanocomposites
Author
최준명
Keywords
Interfacial shear strength; Nanocomposites; Molecular dynamics; Carbon nanotube; Pull-out test; Defect engineering
Issue Date
2015-09
Publisher
ELSEVIER SCI LTD
Citation
COMPOSITE STRUCTURES, v. 127, Page. 108-119
Abstract
In this study, we investigate the influence of the intrinsic defects of carbon nanotube (CNT) on the interfacial shear strength (IFSS) of the interface between CNT and a polypropylene (PP) matrix using molecular mechanics (MM) and molecular dynamics (MD) simulations. Three different inherent defects of the single void (Void) defect, adsorbed atom (Adatom) defect, and crystallographic Thrower-Stone-Wales (TSW) defect are considered. To quantitatively and qualitatively evaluate the IFSS according to the type and number of defects, quasi static CNT pull-out tests are performed through MM simulations. Among three defects, the single Void defect is found to decrease the IFSS while both the TSW and Adatom defects are found to promote interfacial shear load transfer. Moreover, self-assembly of PP molecules onto the surface of the defected CNT and resultant interfacial strength during the adsorption process are studied through MD simulations at the glassy state of the PP molecules. Consistent results on the interfacial strength between the defected CNT and PP molecules from the pull-out simulation and a defect-dependent adsorption time rate of PP in self-assembly are obtained. (C) 2015 Elsevier Ltd. All rights reserved.
URI
https://www.sciencedirect.com/science/article/pii/S026382231500166Xhttps://repository.hanyang.ac.kr/handle/20.500.11754/100596
ISSN
0263-8223; 1879-1085
DOI
10.1016/j.compstruct.2015.02.078
Appears in Collections:
COLLEGE OF ENGINEERING SCIENCES[E](공학대학) > MECHANICAL ENGINEERING(기계공학과) > Articles
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