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

Detalhes bibliográficos
Autor(a) principal: Dos Santos, Ricardo P. [UNESP]
Data de Publicação: 2012
Outros Autores: Machado, Leonardo D., Legoas, Sergio B., Galvao, Douglas S.
Tipo de documento: Artigo de conferência
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1557/opl.2012.706
http://hdl.handle.net/11449/227049
Resumo: Graphene 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.
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spelling Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics studyGraphene 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.Physics Department IGCE State University of São Paulo (Unesp), Rio Claro, SP, 13506-900Applied Physics Department Campinas State University, Campinas, SP, 13083-970Physics Department CCT Roraima Federal University, Boa Vista, RR, 69304-000Physics Department IGCE State University of São Paulo (Unesp), Rio Claro, SP, 13506-900Universidade Estadual Paulista (UNESP)Universidade Estadual de Campinas (UNICAMP)Roraima Federal UniversityDos Santos, Ricardo P. [UNESP]Machado, Leonardo D.Legoas, Sergio B.Galvao, Douglas S.2022-04-29T06:01:26Z2022-04-29T06:01:26Z2012-12-05info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/conferenceObject67-72http://dx.doi.org/10.1557/opl.2012.706Materials Research Society Symposium Proceedings, v. 1407, p. 67-72.0272-9172http://hdl.handle.net/11449/22704910.1557/opl.2012.7062-s2.0-84870376671Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengMaterials Research Society Symposium Proceedingsinfo:eu-repo/semantics/openAccess2022-04-29T06:01:26Zoai:repositorio.unesp.br:11449/227049Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T14:17:47.870774Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study
title Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study
spellingShingle Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study
Dos Santos, Ricardo P. [UNESP]
title_short Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study
title_full Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study
title_fullStr Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study
title_full_unstemmed Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study
title_sort Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study
author Dos Santos, Ricardo P. [UNESP]
author_facet Dos Santos, Ricardo P. [UNESP]
Machado, Leonardo D.
Legoas, Sergio B.
Galvao, Douglas S.
author_role author
author2 Machado, Leonardo D.
Legoas, Sergio B.
Galvao, Douglas S.
author2_role author
author
author
dc.contributor.none.fl_str_mv Universidade Estadual Paulista (UNESP)
Universidade Estadual de Campinas (UNICAMP)
Roraima Federal University
dc.contributor.author.fl_str_mv Dos Santos, Ricardo P. [UNESP]
Machado, Leonardo D.
Legoas, Sergio B.
Galvao, Douglas S.
description Graphene 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.
publishDate 2012
dc.date.none.fl_str_mv 2012-12-05
2022-04-29T06:01:26Z
2022-04-29T06:01:26Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/conferenceObject
format conferenceObject
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1557/opl.2012.706
Materials Research Society Symposium Proceedings, v. 1407, p. 67-72.
0272-9172
http://hdl.handle.net/11449/227049
10.1557/opl.2012.706
2-s2.0-84870376671
url http://dx.doi.org/10.1557/opl.2012.706
http://hdl.handle.net/11449/227049
identifier_str_mv Materials Research Society Symposium Proceedings, v. 1407, p. 67-72.
0272-9172
10.1557/opl.2012.706
2-s2.0-84870376671
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Materials Research Society Symposium Proceedings
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 67-72
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
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