Molecular mechanisms of failure in polymer nanocomposites

Phys Rev Lett. 2002 Jul 29;89(5):058301. doi: 10.1103/PhysRevLett.89.058301. Epub 2002 Jul 15.

Abstract

Molecular dynamics simulations of polymers reinforced with nanoscopic filler particles reveal the mechanisms by which nanofillers improve the toughness of the material. We find that the mobility of the nanofiller particle, rather than its surface area, controls its ability to dissipate energy. Our results show similarities between the toughening mechanisms observed in polymer nanocomposites and those postulated for biological structural materials such as spider silk and abalone adhesive.