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International Journal for Multiscale Computational Engineering

Impact factor: 1.103

ISSN Print: 1543-1649
ISSN Online: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.2016017428
pages 173-190

CARBON NANOTUBE REINFORCED POLYETHYLENE COMPOSITES: A MOLECULAR DYNAMICS APPROACH

Rahul Anjana
Research Scholar, Department of Mechanical Engineering, Lovely Professional University, Phagwara 144411, Punjab, India
Sumit Sharma
B.R. Ambedkar National Institute of Technology, Jalandhar, India

ABSTRACT

This article is an attempt to identify the topics that are most relevant to carbon nanotube/polymer (CNT/polymer) materials. Publications in which mechanical properties like stiffness and damping have been predicted are reviewed. The effects of volume fraction (Vf) and aspect ratio (l/d) on the mechanical properties of composites reinforced with single-walled CNTs (SWCNTs) have been studied using molecular dynamics (MD) simulations. Results showed that the longitudinal Young’s modulus of the composite is strongly dependent on l/d and CNT Vf. Simulation results have been compared with the rule of mixture model, periodic microstructure model, Finegan model, and Mori–Tanaka model. To the best of the knowledge of the authors, there is no other study which has compared the MD results with the abovestated models. Hence, this will be a valuable addition to the literature. When 2% CNT was added to polyethylene, the value of E11 was increased to 20.69 GPa, i.e., an increase of 20 times. E11 increased considerably until Vf = 0.06. Thereafter, the rise was minimal due to the slippery nature of CNT, which does not assist in further improvement of mechanical properties. When l/d changes from 5 to 10, E11 increases approximately 47.5%. MD results have been found to agree well with the analytical models.