Molecular Dynamics Simulation of Cross-linked Graphene-Epoxy Nanocomposites

Physics – Condensed Matter – Materials Science

Scientific paper

Rate now

  [ 0.00 ] – not rated yet Voters 0   Comments 0

Details

34 Pages, 29 Figures

Scientific paper

This paper focuses on molecular dynamics (MD) modeling of graphene reinforced cross-linked epoxy (Gr-Ep) nanocomposite. The goal is to study the influence of geometry, and concentration of reinforcing nanographene sheet (NGS) on interfacial properties and elastic constants such as bulk Young's modulus, and shear modulus of Gr-Ep nanocomposites. The most typical cross-linked configuration was obtained in order to use in further simulations. The mechanical properties of this cross-linked structure were determined using MD simulations and the results were verified with those available in literatures. Graphene with different aspect ratios and concentrations (1%, 3% and 5%) were considered in order to construct amorphous unit cells of Gr-Ep nanocomposites. The Gr-Ep nanocomposites system undergoes NVT (constant number of atoms, volume and temperature) and NPT (constant number of atoms, pressure and temperature) ensemble with applied uniform strain field during MD simulation to obtain bulk Young's modulus and shear modulus. The stress-strain response was also evaluated for both amorphous and crystalline unit cells of Gr-Ep system under uni-axial deformation. The cohesive and pullout force vs. displacement response were determined for graphenes with different size. Hence as primary goal of this work, a parametric study using MD simulation was conducted for characterizing interfacial properties and elastic constants with different NGS aspect rations and volume fractions. The MD simulation results show reasonable agreement with available published data in the literature.

No associations

LandOfFree

Say what you really think

Search LandOfFree.com for scientists and scientific papers. Rate them and share your experience with other people.

Rating

Molecular Dynamics Simulation of Cross-linked Graphene-Epoxy Nanocomposites does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Molecular Dynamics Simulation of Cross-linked Graphene-Epoxy Nanocomposites, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Molecular Dynamics Simulation of Cross-linked Graphene-Epoxy Nanocomposites will most certainly appreciate the feedback.

Rate now

     

Profile ID: LFWR-SCP-O-711823

  Search
All data on this website is collected from public sources. Our data reflects the most accurate information available at the time of publication.