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Size Effects in a Silica-Polystyrene Nanocomposite: Molecular Dynamics and Surface-enhanced Continuum Approaches

Article dans une revue avec comité de lecture
Author
DAVYDOV, Denis
VOYIATZIS, Evangelos
CHATZIGEORGIOU, George
178323 Laboratoire d'Etude des Microstructures et de Mécanique des Matériaux [LEM3]
LIU, Shengyuan
STEINMANN, Paul
BOHM, Michael C.
MULLER-PLATHE, Florian

URI
http://hdl.handle.net/10985/10051
DOI
10.1080/1539445X.2014.959597
Date
2014
Journal
Soft Materials

Abstract

Size effects in a system composed of a polymer matrix with a single silica nanoparticle are studied using molecular dynamics and surface-enhanced continuum approaches. The dependence of the composite’s mechanical properties on the nanoparticle’s radius was examined. Mean values of the elastic moduli obtained using molecular dynamics were found to be lower than those of the polystyrene matrix alone. The surface-enhanced continuum theory produced a satisfactory fit of macroscopic stresses developing during relaxation due to the interface tension and uniaxial deformation. Neither analytical nor finite-element solutions correlated well with the size-effect in elastic moduli predicted by the molecular dynamics simulations.

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