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Prediction of Material Properties of Nanostructured Polymer Composites Using Atomistic SimulationsAtomistic models of epoxy polymers were built in order to assess the effect of structure at the nanometer scale on the resulting bulk properties such as elastic modulus and thermal conductivity. Atomistic models of both bulk polymer and carbon nanotube polymer composites were built. For the bulk models, the effect of moisture content and temperature on the resulting elastic constants was calculated. A relatively consistent decrease in modulus was seen with increasing temperature. The dependence of modulus on moisture content was less consistent. This behavior was seen for two different epoxy systems, one containing a difunctional epoxy molecule and the other a tetrafunctional epoxy molecule. Both epoxy structures were crosslinked with diamine curing agents. Multifunctional properties were calculated with the nanocomposite models. Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between the carbon nanotube and the surrounding epoxy matrix. These estimated values were used in a multiscale model in order to predict the thermal conductivity of a nanocomposite as a function of the nanometer scaled molecular structure.
Document ID
20090019674
Acquisition Source
Langley Research Center
Document Type
Conference Paper
Authors
Hinkley, J.A. (NASA Langley Research Center Hampton, VA, United States)
Clancy, T.C. (National Inst. of Aerospace Hampton, VA, United States)
Frankland, S.J.V. (National Inst. of Aerospace Hampton, VA, United States)
Date Acquired
August 24, 2013
Publication Date
May 4, 2009
Subject Category
Composite Materials
Report/Patent Number
LF99-8544
Meeting Information
Meeting: 50th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference
Location: California
Country: United States
Start Date: May 4, 2009
End Date: May 7, 2009
Sponsors: American Inst. of Aeronautics and Astronautics
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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