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 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.
Papakonstantopoulos
George J
GJ
Department of Chemical and Biological Engineering, University of Wisconsin, Madison, Wisconsin 53706-1691, USA.
Doxastakis
Manolis
M
Nealey
Paul F
PF
Barrat
Jean-Louis
JL
de Pablo
Juan J
JJ