Systematic comparison of model polymer nanocomposite mechanics

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2016
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Xiao, Senbo
Kremer, Kurt
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Bioinspiration & Biomimetics. 2016, 11(5), 055008. ISSN 1748-3182. eISSN 1748-3190. Available under: doi: 10.1088/1748-3190/11/5/055008
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Polymer nanocomposites render a range of outstanding materials from natural products such as silk, sea shells and bones, to synthesized nanoclay or carbon nanotube reinforced polymer systems. In contrast to the fast expanding interest in this type of material, the fundamental mechanisms of their mixing, phase behavior and reinforcement, especially for higher nanoparticle content as relevant for bio-inorganic composites, are still not fully understood. Although polymer nanocomposites exhibit diverse morphologies, qualitatively their mechanical properties are believed to be governed by a few parameters, namely their internal polymer network topology, nanoparticle volume fraction, particle surface properties and so on. Relating material mechanics to such elementary parameters is the purpose of this work. By taking a coarse-grained molecular modeling approach, we study an range of different polymer nanocomposites. We vary polymer nanoparticle connectivity, surface geometry and volume fraction to systematically study rheological/mechanical properties. Our models cover different materials, and reproduce key characteristics of real nanocomposites, such as phase separation, mechanical reinforcement. The results shed light on establishing elementary structure, property and function relationship of polymer nanocomposites.

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ISO 690XIAO, Senbo, Christine PETER, Kurt KREMER, 2016. Systematic comparison of model polymer nanocomposite mechanics. In: Bioinspiration & Biomimetics. 2016, 11(5), 055008. ISSN 1748-3182. eISSN 1748-3190. Available under: doi: 10.1088/1748-3190/11/5/055008
BibTex
@article{Xiao2016-10-01Syste-37199,
  year={2016},
  doi={10.1088/1748-3190/11/5/055008},
  title={Systematic comparison of model polymer nanocomposite mechanics},
  number={5},
  volume={11},
  issn={1748-3182},
  journal={Bioinspiration & Biomimetics},
  author={Xiao, Senbo and Peter, Christine and Kremer, Kurt},
  note={Article Number: 055008}
}
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