Integrating an Analytical Uncertainty Quantification Approach to Multi-Scale Modeling of Nanocomposites

This work addresses the integration of an analytical uncertainty quantification approach to multi-scale modeling of single-walled carbon nanotube (SWNT)-epoxy nanocomposites consisting of pristine systems. The computational modeling starts with the dendrimer growth approach, which is used to build an epoxy-SWNT network. Next, the molecular dynamics simulations are performed to obtain thermal and mechanical properties. The SWNT orientations are assumed to have natural stochasticity which is modeled by an analytical uncertainty algorithm. Next, the propagation of the uncertainties to the volume-averaged properties of the SWNT and nanocomposite is obtained. The uncertainties are shown to affect the macro-scale properties such as stiffness, thermal expansion, thermal conductivity and natural frequencies.