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Multi-Scale Modeling of Cross-Linked Nanotube MaterialsThe effect of cross-linking single-walled carbon nanotubes on the Young's modulus of a nanotube-reinforced composite is modeled with a multi-scale method. The Young's modulus is predicted as a function of nanotube volume fraction and cross-link density. In this method, the constitutive properties of molecular representative volume elements are determined using molecular dynamics simulation and equivalent-continuum modeling. The Young's modulus is subsequently calculated for cross-linked nanotubes in a matrix which consists of the unreacted cross-linking agent. Two different cross-linking agents are used in this study, one that is short and rigid (Molecule A), and one that is long and flexible (Molecule B). Direct comparisons between the predicted elastic constants are made for the models in which the nanotubes are either covalently bonded or not chemically bonded to the cross-linking agent. At a nanotube volume fraction of 10%, the Young's modulus of Material A is not affected by nanotube crosslinking, while the Young's modulus of Material B is reduced by 64% when the nanotubes are cross-linked relative to the non-cross-linked material with the same matrix.
Document ID
20050232761
Acquisition Source
Langley Research Center
Document Type
Preprint (Draft being sent to journal)
Authors
Frankland, S. J. V.
(National Inst. of Aerospace Hampton, VA, United States)
Odegard, G. M.
(Michigan Technological Univ. Houghton, MI, United States)
Herzog, M. N.
(National Academy of Sciences - National Research Council Hampton, VA, United States)
Gates, T. S.
(NASA Langley Research Center Hampton, VA, United States)
Fay, C. C.
(NASA Langley Research Center Hampton, VA, United States)
Date Acquired
August 23, 2013
Publication Date
January 1, 2005
Subject Category
Composite Materials
Meeting Information
Meeting: 5th Canadian-International Composites Conference
Location: Vancouver
Country: Canada
Start Date: August 16, 2005
End Date: August 19, 2005
Funding Number(s)
OTHER: 23-064-30-24
Distribution Limits
Public
Copyright
Public Use Permitted.
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