Coarse-Grained Molecular Dynamics Simulation of Ionic Polymer Networks
Abstract
The stress-strain behavior of cross-linked polymeric networks was investigated using molecular dynamics simulations with a coarse-grained representation of the repeating units. The network structure was formed by dynamically crosslinking the reactants placed between two rigid layers comprised of particles of the same type. We studied two types of networks which differ only by one containing ionic pairs that amount to 7% of the total number of bonds present. The stress-strain curves were obtained after imposing deformation in tensile and shear modes to the networks and measuring their stress response. Under both forms of deformations there was improvement in the level of stress that the material could bear. Moreover, the time dependent behavior of the improvement in mechanical properties signed a self-healing mechanism.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 01, 2008
- Accession Number
- ADA502438
Entities
People
- J. A. Johnson
- J. A. Shumaker
- K. L. Anderson
- T. E. Dirama
- V. Varshney
Organizations
- Air Force Research Laboratory