Please use this identifier to cite or link to this item: http://hdl.handle.net/1822/26742

TitleSimulating scratch behavior of polymers with mesoscopic molecular dynamics
Author(s)Hilbig, Travis
Brostow, Witold
Simões, Ricardo
KeywordsMolecular dynamics
Polymers
Computer modelling and simulation
Tribology and wear
Issue date2013
PublisherElsevier
JournalMaterials Chemistry and Physics
Abstract(s)Part replacement and repair is needed in structures with moving parts because of scratchability and wear. In spite of some accumulation of experimental evidence, scratch resistance is still not well understood. We have applied molecular dynamics to study scratch resistance of amorphous polymeric materials through computer simulations. As a first approach, a coarse grain model was created for high density polyethylene at the mesoscale. We have also extended the traditional approach and used real units rather than reduced units (to our knowledge, for the first time), which enable an improved quantification of simulation results. The obtained results include analysis of penetration depth, residual depth and recovery percentage related to indenter force and size. Our results show there is a clear effect from these parameters on the tribological properties. We also discuss a "crooked smile" effect on the scratched surface and the reasons for its appearance.
TypeArticle
URIhttp://hdl.handle.net/1822/26742
DOI10.1016/j.matchemphys.2012.12.072
ISSN0254-0584
Publisher versionhttp://www.journals.elsevier.com/
Peer-Reviewedyes
AccessRestricted access (UMinho)
Appears in Collections:IPC - Artigos em revistas científicas internacionais com arbitragem

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