Molecular dynamics simulation study of a fracture of filler-filled polymer nanocomposites
Review articleOpen access
Abstract:

Highlights•Fracture of polymer network filled with nanoparticles is studied by cgMD simulations.•We assumed uniaxial deformation with a Poisson ratio of 0.4 and attractive interaction among the polymers.•For attractive NP-polymer interaction, nanovoids appear in the bulk of polymers.•For repulsive NP-polymer interaction, nanovoids are created at the surface between the polymers and NPs.

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