Polymer indentation 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/11110/325 |
Resumo: | Indentation tests are used to determine the hardness of a material, e.g., Rockwell, Vickers, or Knoop. The indentation process is empirically observed in the laboratory during these tests; the mechanics of indentation is insufficiently understood. We have performed first molecular dynamics computer simulations of indentation resistance of polymers with a chain structure similar to that of high density polyethylene (HDPE). A coarse grain model of HDPE is used to simulate how the interconnected segments respond to an external force imposed by an indenter. Results include the time-dependent measurement of penetration depth, recovery depth, and recovery percentage, with respect to indenter force, indenter size, and indentation time parameters. The simulations provide results that are inaccessible experimentally, including continuous evolution of the pertinent tribological parameters during the entire indentation process. |
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Polymer indentation with mesoscopic molecular dynamicsPolymer indentationIndentation tests are used to determine the hardness of a material, e.g., Rockwell, Vickers, or Knoop. The indentation process is empirically observed in the laboratory during these tests; the mechanics of indentation is insufficiently understood. We have performed first molecular dynamics computer simulations of indentation resistance of polymers with a chain structure similar to that of high density polyethylene (HDPE). A coarse grain model of HDPE is used to simulate how the interconnected segments respond to an external force imposed by an indenter. Results include the time-dependent measurement of penetration depth, recovery depth, and recovery percentage, with respect to indenter force, indenter size, and indentation time parameters. The simulations provide results that are inaccessible experimentally, including continuous evolution of the pertinent tribological parameters during the entire indentation process.Partial financial support has been provided by the Foundation for Science and Technology (FCT), Lisbon,through Grant Nos. PEst-C/CTM/LA0025/2013 and PTDC-EME-PME-108859-2008, and also by the II-VI Foundation, Bridgeville, Pennsylvania. The late Rustum Roy has taught us how to do integration of science and engineering and how to avoid even unintentional fragmentation of science.Journal of Materials Research2013-11-21T18:59:59Z2013-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/11110/325oai:ciencipca.ipca.pt:11110/325enghttp://hdl.handle.net/11110/325metadata only accessinfo:eu-repo/semantics/openAccessRocha, Javier R.Yang, Kevin Z.Hilbig, 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:11110/325Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T15:00:42.421827Repositório 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 |
Polymer indentation with mesoscopic molecular dynamics |
title |
Polymer indentation with mesoscopic molecular dynamics |
spellingShingle |
Polymer indentation with mesoscopic molecular dynamics Rocha, Javier R. Polymer indentation |
title_short |
Polymer indentation with mesoscopic molecular dynamics |
title_full |
Polymer indentation with mesoscopic molecular dynamics |
title_fullStr |
Polymer indentation with mesoscopic molecular dynamics |
title_full_unstemmed |
Polymer indentation with mesoscopic molecular dynamics |
title_sort |
Polymer indentation with mesoscopic molecular dynamics |
author |
Rocha, Javier R. |
author_facet |
Rocha, Javier R. Yang, Kevin Z. Hilbig, Travis Brostow, Witold Simões, Ricardo |
author_role |
author |
author2 |
Yang, Kevin Z. Hilbig, Travis Brostow, Witold Simões, Ricardo |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Rocha, Javier R. Yang, Kevin Z. Hilbig, Travis Brostow, Witold Simões, Ricardo |
dc.subject.por.fl_str_mv |
Polymer indentation |
topic |
Polymer indentation |
description |
Indentation tests are used to determine the hardness of a material, e.g., Rockwell, Vickers, or Knoop. The indentation process is empirically observed in the laboratory during these tests; the mechanics of indentation is insufficiently understood. We have performed first molecular dynamics computer simulations of indentation resistance of polymers with a chain structure similar to that of high density polyethylene (HDPE). A coarse grain model of HDPE is used to simulate how the interconnected segments respond to an external force imposed by an indenter. Results include the time-dependent measurement of penetration depth, recovery depth, and recovery percentage, with respect to indenter force, indenter size, and indentation time parameters. The simulations provide results that are inaccessible experimentally, including continuous evolution of the pertinent tribological parameters during the entire indentation process. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013-11-21T18:59:59Z 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/11110/325 oai:ciencipca.ipca.pt:11110/325 |
url |
http://hdl.handle.net/11110/325 |
identifier_str_mv |
oai:ciencipca.ipca.pt:11110/325 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
http://hdl.handle.net/11110/325 |
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 |
Journal of Materials Research |
publisher.none.fl_str_mv |
Journal of Materials Research |
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 |
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RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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