Fragility of Polymer Nanocomposites with Ideal Nanoparticle Dispersion

ORAL

Abstract

We investigate the impact of the addition of nanoparticles (NP) on the fragility of a model glass forming polymer melt by molecular dynamics simulation. We first consider a fixed density path and find that the fragility changes, like the change in the glass transition temperature, follow directly from the attractive or repulsive polymer-NP interactions. We further show how the fragility can be connected with local vibrational changes, quantified by the Debye-Waller factor. We contrast these results with those we obtain along a path of fixed pressure, more experimentally relevant. For the isobaric case, we find changes in packing can have a larger effect on fragility than surface effects due only to NP interactions at fixed system density.

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Authors

  • Beatriz Pazmino

    Physics Dept., Wesleyan University, Middletown, CT

  • Jack Douglas

    National Institute of Standards and Technology, Polymers Division, NIST Gaithersburg, National Institute of Standards and Technology, Gaithersburg, MD, USA, Polymer Division, NIST, Gaithersburg, MD, Polymers Division, NIST, Polymers Division, National Institute of Standards and Technology, Gaithersburg, MD 20899, NIST, Polymers Division, NIST, USA

  • Francis Starr

    Physics Dept., Wesleyan University, Middletown, CT, Wesleyan University, Physics Dept., Wesleyan University, Middletown, Physics Dept, Wesleyan University, Middletown CT, Wesleyan U., Middletown, CT