Modeling of Polymer Matrix Nanocomposites

Hendrik Heinz, SoumYa S. Patnaik, Ras B. Pandey, and Barry L Farmer 

In addition to these natural examples, synthetic nanocomposites have been in use since early civilization. The concept of enhancing the properties of materials by introducing nanofiHers can be traced back to as early as 100 BC. The bright color and corrosion resistance of the Maya blue paint has been attributed to its nature as an organoday nanocomposite. 

The second half of the last century has seen many applications of nanoscale organodays to control the flow of polymer solutions and gels. More recently, nanocomposites have been the subjed of a very rapidly growing body of research. Along with advances in tools to charaderize and control structure at ever-smaller size 

We conclude the chapter with selected examples of applications of nanocomposites where computational models might be especially informative, summarizing the results of our studies thereon. Nanostructured materials may offer advantageous thermal transport, but such properties have not received nearly as much attention as mechanical properties. Thus, we have included a section on thermal properties across interfaces. 

Polymer Clay Nanocomposites and Coarse-Grained Models 

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Polymer nanocomposites are prospective new materials. Nevertheless, their properties are still not well understood. The chapter by Heinz, Patnaik, Pandey, and Farmer ( Modeling of Polymer Matrix Nanocomposites ) demonstrates the application of modem computational methods for investigating dispersion of various nanofiHers in polymer matrices under the action of microscopic forces. In addition, an attempt is made to calculate the thermal conductivity in a model system of nanotubes in polymer matrix. 

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