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Reinforcement Mechanisms in Polymer Nanotube Composites: Simulated Non-Bonded and Cross-Linked Systems

Published online by Cambridge University Press:  15 March 2011

S. J. V. Frankland ,
A. Caglar ,
D. W. Brenner  and
M. Griebel
S. J. V. Frankland
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC
A. Caglar
Affiliation:
Department of Applied Mathematics, Division of Scientific Computing and Numerical Simulation, University of Bonn, Germany
D. W. Brenner
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC
M. Griebel
Affiliation:
Department of Applied Mathematics, Division of Scientific Computing and Numerical Simulation, University of Bonn, Germany
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Abstract

A summary of three simulations related to the issue of load transfer in carbon nanotube/polymer composites is given. Each simulation considers a (10,10) nanotube in a polyethylene matrix modeled with either a united-atom or fully-atomic polyethylene representation. The first simulation uses molecular dynamics to model a 100 nm nanotube in polyethylene in which the nanotube and matrix interact through weak non-bonded interactions. No permanent stress transfer is observed for this system. The second simulation estimates the shear yield strength for the nanotube in each of the model polyethylene matrices. The third simulation addresses a chemically functionalized nanotube in which there are cross-links between the nanotube and matrix. The results indicate that the cross-linked system has an enhanced shear yield strength of one to two orders of magnitude larger than the non-bonded composites.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 633: Symposium A – Nanotubes and Related Materials , 2000 , A14.17
Copyright
Copyright © Materials Research Society 2001

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