Influence of nanoparticle size, loading, and shape on the mechanical properties of polymer nanocomposites
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© 2012 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. http://scitation.aip.org/content/aip/journal/jcp
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School of Science |
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2012
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Mcode
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Language
en
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214901
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The Journal of Chemical Physics, Volume 137, Issue 21
Abstract
We study the influence of spherical, triangular, and rod-like nanoparticles on the mechanical properties of a polymernanocomposite (PNC), via coarse-grained molecular dynamics simulations. We focus on how the nanoparticle size, loading, mass, and shape influence the PNC’s elastic modulus, stress at failure and resistance against cavity formation and growth, under external stress. We find that in the regime of strong polymer-nanoparticle interactions, the formation of a polymer network via temporary polymer-nanoparticle crosslinks has a predominant role on the PNC reinforcement. Spherical nanoparticles, whose size is comparable to that of the polymermonomers, are more effective at toughening the PNC than larger spherical particles. When comparing particles of spherical, triangular, and rod-like geometries, the rod-like nanoparticles emerge as the best PNC toughening agents.Description
Keywords
elastic moduli, failure (mechanical), filled polymers, molecular dynamics method, nanocomposites, nanoparticles, nanorods, particle size, voids (solid), work hardening
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Citation
Kutvonen, A. & Rossi, G. & Puisto, S. R. & Rostedt, N. K. & Ala-Nissilä, Tapio. 2012. Influence of nanoparticle size, loading, and shape on the mechanical properties of polymer nanocomposites. The Journal of Chemical Physics. Volume 137, Issue 21. 214901. 0021-9606 (printed). DOI: 10.1063/1.4767517.