Calculation of local mechanical properties of filled polymers

A study is presented on the effects of smooth nanoparticles on the structure and elastic moduli of a polymer matrix. Structural changes between the unfilled polymer matrix and the nanocomposite give rise to the formation of a glassy layer that surrounds the nanoparticles. Results for the effects of...

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Published inPhysical review. E, Statistical, nonlinear, and soft matter physics Vol. 75; no. 3 Pt 1; p. 031803
Main Authors Papakonstantopoulos, George J, Doxastakis, Manolis, Nealey, Paul F, Barrat, Jean-Louis, de Pablo, Juan J
Format Journal Article
LanguageEnglish
Published United States 01.03.2007
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Summary:A study is presented on the effects of smooth nanoparticles on the structure and elastic moduli of a polymer matrix. Structural changes between the unfilled polymer matrix and the nanocomposite give rise to the formation of a glassy layer that surrounds the nanoparticles. Results for the effects of particle size and concentration on the local and overall mechanical properties of the polymer are consistent with experimental macroscopic observations. At the molecular level, it is found that dispersed, attractive nanoparticles alter the nonaffine displacement fields that arise in the polymer glass upon deformation, thereby rendering the nanocomposite glass less fragile.
ISSN:1539-3755
DOI:10.1103/physreve.75.031803