@inproceedings{9c9bb461fe56493ba74c8e163a2fce4f,
title = "Atomistic modeling in polymer nanocomposite systems - Applications to processing and mechanics of multi-scale materials",
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.",
keywords = "Atomistic modeling, Hybrid composites, Material interactions, Nanocomposites",
author = "R. Mohan and A. Kelkar",
year = "2012",
language = "English",
isbn = "9788888785332",
series = "ECCM 2012 - Composites at Venice, Proceedings of the 15th European Conference on Composite Materials",
publisher = "European Conference on Composite Materials, ECCM",
booktitle = "ECCM 2012 - Composites at Venice, Proceedings of the 15th European Conference on Composite Materials",
note = "15th European Conference on Composite Materials: Composites at Venice, ECCM 2012 ; Conference date: 24-06-2012 Through 28-06-2012",
}