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http://dx.doi.org/10.7234/composres.2017.30.4.247

Molecular Dynamics and Micromechanics Study on Mechanical Behavior and Interfacial Properties of BNNT/Polymer Nanocomposites  

Choi, Seoyeon (School of Energy Systems Engineering, Mechanical Engineering Division, Chung-Ang University)
Yang, Seunghwa (School of Energy Systems Engineering, Mechanical Engineering Division, Chung-Ang University)
Publication Information
Composites Research / v.30, no.4, 2017 , pp. 247-253 More about this Journal
Abstract
In this study, the mechanical behavior and interface properties of boron nitride nanotube-poly(methyl methacrylate) nanocomposites are predicted using the molecular dynamics simulations and the double inclusion model. After modeling nanocomposite unit cell embedding single-walled nanotube and polymer, the stiffness matrix is determined from uniaxial tension and shear tests. Through the orientation average of the transversely isotropic stiffness matrix, the effective isotropic elastic constants of randomly dispersed microstructure of nanocomposites. Compared with the double inclusion model solution with a perfect interfacial condition, it is found that the interface between boron nitride nanotube and polymer matrix is weak in nature. To characterize the interphase surrounding the nanotube, the two step domain decomposition method incorporating a linear spring model at the interface is adopted. As a result, various combinations of the interfacial compliance and the interphase elastic constants are successfully determined from an inverse analysis.
Keywords
Boron nitride nanotube; Nanocomposites; Molecular dynamics simulation; Double inclusion model;
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Times Cited By KSCI : 1  (Citation Analysis)
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