Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization
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/11110/292 |
Resumo: | Experimental scratch resistance testing provides two numbers: the penetration depth Rp and the healing depth Rh. In molecular dynamics computer simulations, we create a material consisting of N statistical chain segments by polymerization; a reinforcing phase can be included. Then we simulate the movement of an indenter and response of the segments during X time steps. Each segment at each time step has three Cartesian coordinates of position and three of momentum. We describe methods of visualization of results based on a record of 6NX coordinates. We obtain a continuous dependence on time t of positions of each of the segments on the path of the indenter. Scratch resistance at a given location can be connected to spatial structures of individual polymeric chains. |
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Molecular dynamics computer simulation of scratch resistance testing of polymers: visualizationMolecular dynamics simulationScratch resistancePolymer tribologyExperimental scratch resistance testing provides two numbers: the penetration depth Rp and the healing depth Rh. In molecular dynamics computer simulations, we create a material consisting of N statistical chain segments by polymerization; a reinforcing phase can be included. Then we simulate the movement of an indenter and response of the segments during X time steps. Each segment at each time step has three Cartesian coordinates of position and three of momentum. We describe methods of visualization of results based on a record of 6NX coordinates. We obtain a continuous dependence on time t of positions of each of the segments on the path of the indenter. Scratch resistance at a given location can be connected to spatial structures of individual polymeric chains.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.2013-11-20T17:25:27Z2013-11-20T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/11110/292oai:ciencipca.ipca.pt:11110/292enghttp://hdl.handle.net/11110/292metadata only accessinfo:eu-repo/semantics/openAccessBrostow, WitoldDeshpande, SameerHilbig, TravisSimoes, Ricardoreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2022-09-05T12:51:51Zoai:ciencipca.ipca.pt:11110/292Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T15:00:42.016603Repositório 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 |
Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization |
title |
Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization |
spellingShingle |
Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization Brostow, Witold Molecular dynamics simulation Scratch resistance Polymer tribology |
title_short |
Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization |
title_full |
Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization |
title_fullStr |
Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization |
title_full_unstemmed |
Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization |
title_sort |
Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization |
author |
Brostow, Witold |
author_facet |
Brostow, Witold Deshpande, Sameer Hilbig, Travis Simoes, Ricardo |
author_role |
author |
author2 |
Deshpande, Sameer Hilbig, Travis Simoes, Ricardo |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Brostow, Witold Deshpande, Sameer Hilbig, Travis Simoes, Ricardo |
dc.subject.por.fl_str_mv |
Molecular dynamics simulation Scratch resistance Polymer tribology |
topic |
Molecular dynamics simulation Scratch resistance Polymer tribology |
description |
Experimental scratch resistance testing provides two numbers: the penetration depth Rp and the healing depth Rh. In molecular dynamics computer simulations, we create a material consisting of N statistical chain segments by polymerization; a reinforcing phase can be included. Then we simulate the movement of an indenter and response of the segments during X time steps. Each segment at each time step has three Cartesian coordinates of position and three of momentum. We describe methods of visualization of results based on a record of 6NX coordinates. We obtain a continuous dependence on time t of positions of each of the segments on the path of the indenter. Scratch resistance at a given location can be connected to spatial structures of individual polymeric chains. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013-11-20T17:25:27Z 2013-11-20T00:00:00Z |
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/11110/292 oai:ciencipca.ipca.pt:11110/292 |
url |
http://hdl.handle.net/11110/292 |
identifier_str_mv |
oai:ciencipca.ipca.pt:11110/292 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
http://hdl.handle.net/11110/292 |
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.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 |
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1799129877104820224 |