Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study

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dc.contributor.authorDos Santos, Ricardo P. [UNESP]
dc.contributor.authorMachado, Leonardo D.
dc.contributor.authorLegoas, Sergio B.
dc.contributor.authorGalvao, Douglas S.
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionUniversidade Estadual de Campinas (UNICAMP)
dc.contributor.institutionRoraima Federal University
dc.date.accessioned2022-04-29T06:01:26Z
dc.date.available2022-04-29T06:01:26Z
dc.date.issued2012-12-05
dc.description.abstractGraphene has been one of the most important subjects in materials science in the last years. Recently, the frictional characteristics of atomically thin sheets were experimentally investigated using atomic force microscopy (AFM). A new mechanism to explain the enhanced friction for these materials, based on elastic compliance has been proposed. Here, we have investigated the tribological properties of graphene and boron-nitride (single and multi-layers) membranes using fully atomistic molecular dynamics simulations. These simulations were carried out using classical force fields, as implemented in the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code. The used structural models contain typically hundreds of thousands of atoms. In order to mimic the experimental conditions, an artificial AFM tip was moved over the membranes and the tribological characteristics determined in terms of forces and energies. Our results are in good agreement with the available experimental data. They show that the observed enhanced tribological properties can be explained in terms of out-of-plane geometrical distortions and elastic waves propagation. They validate the general features of the model proposed by Lee et al. © 2012 Materials Research Society.en
dc.description.affiliationPhysics Department IGCE State University of São Paulo (Unesp), Rio Claro, SP, 13506-900
dc.description.affiliationApplied Physics Department Campinas State University, Campinas, SP, 13083-970
dc.description.affiliationPhysics Department CCT Roraima Federal University, Boa Vista, RR, 69304-000
dc.description.affiliationUnespPhysics Department IGCE State University of São Paulo (Unesp), Rio Claro, SP, 13506-900
dc.format.extent67-72
dc.identifierhttp://dx.doi.org/10.1557/opl.2012.706
dc.identifier.citationMaterials Research Society Symposium Proceedings, v. 1407, p. 67-72.
dc.identifier.doi10.1557/opl.2012.706
dc.identifier.issn0272-9172
dc.identifier.scopus2-s2.0-84870376671
dc.identifier.urihttp://hdl.handle.net/11449/227049
dc.language.isoeng
dc.relation.ispartofMaterials Research Society Symposium Proceedings
dc.sourceScopus
dc.titleTribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics studyen
dc.typeTrabalho apresentado em evento

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