• Composites Research
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• v.30 no.5
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• pp.323-330
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• 2017

In this study, multiscale analysis in which the information obtained from molecular dynamics simulation is applied to the continuum mechanics level is conducted to investigate the effects of clustering of silicon carbide nanoparticles reinforced into polypropylene matrix on mechanical behavior of nanocomposites. The elastic behavior of polymer nanocomposites is observed for various states of nanoparticulate agglomeration according to the model reflecting the degradation of interphase properties. In addition, factors which mainly affect the mechanical behavior of the nanocomposites are identified, and new index 'clustering density' is defined. The correlation between the clustering density and the elastic modulus of nanocomposites is understood. As the clustering density increases, the interfacial effect decreased and finally the improvement of mechanical properties is suppressed. By considering the random distribution of the nanoparticles, the range of elastic modulus of nanocomposites for same value of clustering density can be investigated. The correlation can be expressed in the form of exponential function, and the mechanical behavior of the polymer nanocomposites can be effectively predicted by using the nanoparticulate clustering density.