Journal article
Simulations of nanoindentation of polymer surfaces: Effects of surface cross-linking on adhesion and hardness
Journal of Physical Chemistry C, Vol.114(1), pp.478-486
2010
Abstract
We present a simulation methodology to chemically cross-link the surface of fully atomistic models of polymers. We simulated nanoindentation of the cross-linked model surfaces whereby nanoparticles (fullerene in this case) are used to probe different regions of the polymer surface enabling us to characterize the surface hardness of the polymer film and calculate the work of adhesion between polymer and nanoparticle. The cross-linked polyester surfaces are constructed using hexamethylene and isophorone di-isocyanate cross-linkers. Our results indicate that, despite surface cross-linking with hexamethylene di-isocyanate molecules, the polymer top surface still maintains significant softness. The hexamethylene cross-links that protrude from the surface are deformable, resulting in a strong adhesion between the surface and carbon particle. In contrast, isophorone surface crosslinking results in significantly weaker adhesion with carbon, due to the less deformable rigid structure formed at the top layer. In this case, while rigidity is imparted to the polymer top surface, the flexibility of the core region of the polymer is maintained.
Details
- Title
- Simulations of nanoindentation of polymer surfaces: Effects of surface cross-linking on adhesion and hardness
- Authors/Creators
- G. Yiapanis (Author/Creator) - Applied Sciences, RMIT University, GPO Box 2476 V, Victoria, 3001, Australia, and BlueScope Steel Research, Port Kembla, AustraliaD.J. Henry (Author/Creator) - Applied Sciences, RMIT University, GPO Box 2476 V, Victoria, 3001, Australia, and BlueScope Steel Research, Port Kembla, AustraliaE. Evans (Author/Creator) - Applied Sciences, RMIT University, GPO Box 2476 V, Victoria, 3001, Australia, and BlueScope Steel Research, Port Kembla, AustraliaI. Yarovsky (Author/Creator) - Applied Sciences, RMIT University, GPO Box 2476 V, Victoria, 3001, Australia, and BlueScope Steel Research, Port Kembla, Australia
- Publication Details
- Journal of Physical Chemistry C, Vol.114(1), pp.478-486
- Publisher
- American Chemical Society
- Identifiers
- 991005542367107891
- Copyright
- © 2010 American Chemical Society
- Murdoch Affiliation
- Murdoch University
- Language
- English
- Resource Type
- Journal article
UN Sustainable Development Goals (SDGs)
This output has contributed to the advancement of the following goals:
Source: InCites
Metrics
57 Record Views
InCites Highlights
These are selected metrics from InCites Benchmarking & Analytics tool, related to this output
- Citation topics
- 2 Chemistry
- 2.53 Polymers & Macromolecules
- 2.53.459 Polymer Surface Modification
- Web Of Science research areas
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology
- ESI research areas
- Chemistry