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Molecular Dynamics Study on Mechanical Behavior and Load Transfer of CNT/PET Nanocomposites : the Effects of Covalent Grafting
- Authors
- Jin, Juho; Yang, Seunghwa
- Issue Date
- Jun-2017
- Publisher
- KOREAN SOC COMPOSITE MATERIALS
- Keywords
- Molecular dynamics; Covalent grafting; Carbon nanotube; Nanocomposites
- Citation
- COMPOSITES RESEARCH, v.30, no.3, pp 193 - 201
- Pages
- 9
- Journal Title
- COMPOSITES RESEARCH
- Volume
- 30
- Number
- 3
- Start Page
- 193
- End Page
- 201
- ISSN
- 2288-2103
2288-2111
- Abstract
- Molecular dynamics simulation and the Mori-Tanaka micromechanics study are performed to investigate the effect of the covalent grafting between CNT and polyester on the mechanical behavior and load transfer of nanocomposites. The transversely isotropic stress-strain curves are determined through the tension and shear simulations according to the covalent grafting. Also, isotropic properties of randomly dispersed nanocomposites are obtained by orientation averaging the transversely isotropic stiffness matrix. By addressing the grafting, the transverse Young's modulus and shear moduli of the nanocomposites are improved, while the longitudinal Young's modulus decreases due to the degradation of the grafted CNT.
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