Simulating scratch behavior of polymers with mesoscopic molecular dynamics
Autor(a) principal: | |
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Data de Publicação: | 2013 |
Outros Autores: | , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/11110/297 |
Resumo: | 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. |
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Simulating scratch behavior of polymers with mesoscopic molecular dynamicsMolecular dynamicsPolymersComputer modelling and simulationTribology and wearPart 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.Partial financial support has been provided by the Foundation for Science and Technology (FCT), Lisbon, through projects PEst-C/ CTM/LA0025/2011 and PTDC-EME-PME-108859-2008, and also by the II-VI Foundation, Bridgeville, Pennsylvania.Materials Chemistry and Physics2013-11-20T18:00:58Z2013-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/11110/297oai:ciencipca.ipca.pt:11110/297enghttp://hdl.handle.net/11110/297metadata only accessinfo:eu-repo/semantics/openAccessHilbig, TravisBrostow, WitoldSimões, Ricardoreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2022-09-05T12:51:52Zoai:ciencipca.ipca.pt:11110/297Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T15:00:42.481272Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Simulating scratch behavior of polymers with mesoscopic molecular dynamics |
title |
Simulating scratch behavior of polymers with mesoscopic molecular dynamics |
spellingShingle |
Simulating scratch behavior of polymers with mesoscopic molecular dynamics Hilbig, Travis Molecular dynamics Polymers Computer modelling and simulation Tribology and wear |
title_short |
Simulating scratch behavior of polymers with mesoscopic molecular dynamics |
title_full |
Simulating scratch behavior of polymers with mesoscopic molecular dynamics |
title_fullStr |
Simulating scratch behavior of polymers with mesoscopic molecular dynamics |
title_full_unstemmed |
Simulating scratch behavior of polymers with mesoscopic molecular dynamics |
title_sort |
Simulating scratch behavior of polymers with mesoscopic molecular dynamics |
author |
Hilbig, Travis |
author_facet |
Hilbig, Travis Brostow, Witold Simões, Ricardo |
author_role |
author |
author2 |
Brostow, Witold Simões, Ricardo |
author2_role |
author author |
dc.contributor.author.fl_str_mv |
Hilbig, Travis Brostow, Witold Simões, Ricardo |
dc.subject.por.fl_str_mv |
Molecular dynamics Polymers Computer modelling and simulation Tribology and wear |
topic |
Molecular dynamics Polymers Computer modelling and simulation Tribology and wear |
description |
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. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013-11-20T18:00:58Z 2013-01-01T00:00:00Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/11110/297 oai:ciencipca.ipca.pt:11110/297 |
url |
http://hdl.handle.net/11110/297 |
identifier_str_mv |
oai:ciencipca.ipca.pt:11110/297 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
http://hdl.handle.net/11110/297 |
dc.rights.driver.fl_str_mv |
metadata only access info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
metadata only access |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
Materials Chemistry and Physics |
publisher.none.fl_str_mv |
Materials Chemistry and Physics |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
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1799129877116354560 |