Multi scale modeling of mechanical behaviour of 2D single wall carbon nanotube network

Abstract eng:
Single Wall Carbon Nanotube (SWCNT) aerogels form 3D nanotube networks that are held together via van der Waals interactions at the nodes. These aerogels show an initial elastic deformation up to a compressive strain of 9%. However this observation is contradicted by the fact that the VDW interaction between two nanotubes is strongest when they are parallel to each other. Therefore, a fiJndamental understanding of mechanical properties of nanotube aerogels and their relationship with the node properties is required. In this work we propose a model for studying the mechanical behavior of a SWCNT random network using a multi scale modeling approach. Van der Waals interaction at the nodes between two nanotubes is modeled using Molecular Dynamics (MD). Results obtained from the atomistic simulation are fed into a Finite Element Model (FEM) to study the mechanical behavior of the random network of nanotubes at continuum scale.

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