Atomistic modeling in polymer nanocomposite systems - Applications to processing and mechanics of multi-scale materials

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Abstract

The behaviour of hybrid and nancomposites is influenced by the material interactions during processing, and by the damages/defects in the molecular configurations of the associated constituent materials. This paper presents the molecular dynamics modelling of the material interactions that exist during the processing of an epoxy-glass fibre-alumina nano particulate hybrid composite. Modeling analysis results indicate that functionalization of alumina with silane T2MEVS (Tris2-Methoxyethoxy Vinyl Silane) improved the silane-alumina adhesion with epoxy compared to the alumina-epoxy adhesion. In addition, the effects of the SWCNT molecular structure defects on the predicted mechanical properties of the CNT-Epoxy nano composite are presented. Modeling analyses indicate that damages/defects in the SWCNT structure lead to a reduction in the CNT-Epoxy nanocomposite properties.
Original languageEnglish
Title of host publicationECCM 2012 - Composites at Venice, Proceedings of the 15th European Conference on Composite Materials
Place of Publicationita
PublisherEuropean Conference on Composite Materials, ECCM
ISBN (Print)9788888785332
StatePublished - Jan 1 2012
Event15th European Conference on Composite Materials: Composites at Venice, ECCM 2012 - Venice, Italy
Duration: Jun 24 2012Jun 28 2012

Conference

Conference15th European Conference on Composite Materials: Composites at Venice, ECCM 2012
Country/TerritoryItaly
CityVenice
Period06/24/1206/28/12

Keywords

  • Atomistic modeling
  • Hybrid composites
  • Material interactions
  • Nanocomposites

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