Author(s): Correia, Alexandre ; Valashani, S. Mohsen ; Pires, Francisco ; Simões, Ricardo
Date: 2013
Persistent ID: https://hdl.handle.net/1822/26043
Origin: RepositóriUM - Universidade do Minho
Subject(s): Molecular dynamics; Modeling and simulation; Nanocomposites; Olecular dynamics
Molecular dynamics simulations were employed to analyze the mechanical properties of polymer-based nanocomposites with varying nanofiber network parameters. The study was focused on nanofiber aspect ratio, concentration and initial orientation. The reinforcing phase affects the behavior of the polymeric nanocomposite. Simulations have shown that the fiber concentration has a significant effect on the properties, with higher loadings resulting in higher stress levels and higher stiffness, matching the general behavior from experimental knowledge in this field. The results also indicate that, within the studied range, the observed effect of the aspect ratio and initial orientation is smaller than that of the concentration, and that these two parameters are interrelated.
