Morphology and dynamics of polymer nanocomposites for varying polymer filler interactions
- ORNL
In this paper, we explore the thermodynamic and dynamic properties of polymer nanocomposites using Stochastic Molecular Dynamics simulation in the canonical ensemble. One of the major parameters that determines the properties of nanocomposites is the filler-monomer interfacial interaction strengths. By varying the interaction strengths as well as temperature of the system we could capture the dynamical response of the system from a fluid-fluid to bridging induced network states The structural properties when analyzed show a strongly networked solid-like transition which has been augmented using dynamical analysis. Calculations show the slowing down of nanoparticle diffusion in the network phase due to jamming of the nanoparticles. At certain parameter range, the equilibrium stress-stress autocorrelation function does not decay confirming the existence of solid-like behavior. The change in mechanical properties is supported by the morphological observations.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). National Center for Computational Sciences (NCCS)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 966426
- Journal Information:
- IEEE Transactions on Nanotechnology, Journal Issue: 18-21
- Country of Publication:
- United States
- Language:
- English
Similar Records
Effect of polymer-filler interaction strengths on the thermodynamic and dynamic properties of polymer nanocomposites
Structure, scattering patterns and phase behavior of polymer nanocomposites with nonspherical fillers