Tribological properties of graphene and boron-nitride layers: A fully atomistic molecular dynamics study
Autor(a) principal: | |
---|---|
Data de Publicação: | 2012 |
Outros Autores: | , , |
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. |
id |
UNSP_f23211e9776c97469ba5fc481667f07b |
---|---|
oai_identifier_str |
oai:repositorio.unesp.br:11449/227049 |
network_acronym_str |
UNSP |
network_name_str |
Repositório Institucional da UNESP |
repository_id_str |
2946 |
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) |
repository.mail.fl_str_mv |
|
_version_ |
1808128342949363712 |