Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates

The origin of different stability of crystalline calcium silicate hydrates was investigated. The tobermorite crystal has been used as an analog of cement hydrate that is being mostly manufactured material on earth. Normal tobermorite is thermally unstable and transforms to amorphous at low pressure....

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Autores: Dupuis, Romain, Moon, Juhyuk, Jeong, Yeonung, Taylor, Rae, Kang, Sung Hoon, Manzano, Hegoi, Ayuela, Andrés, Monteiro, Paulo J.M., Dolado, Jorge S.
Tipo de recurso: artículo
Fecha de publicación:2021
País:España
Institución:TECNALIA Research & Innovation
Repositorio:TECNALIA Publications
Idioma:inglés
OAI Identifier:oai:dsp.tecnalia.com:11556/5279
Acceso en línea:https://hdl.handle.net/11556/5279
Access Level:acceso abierto
Palabra clave:Calcium silicate hydrate
Cement hydrate
Molecular simulation
Self-healing mechanism
Tobermorite
Building and Construction
General Materials Science
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spelling Normal and anomalous self-healing mechanism of crystalline calcium silicate hydratesDupuis, RomainMoon, JuhyukJeong, YeonungTaylor, RaeKang, Sung HoonManzano, HegoiAyuela, AndrésMonteiro, Paulo J.M.Dolado, Jorge S.Calcium silicate hydrateCement hydrateMolecular simulationSelf-healing mechanismTobermoriteBuilding and ConstructionGeneral Materials ScienceThe origin of different stability of crystalline calcium silicate hydrates was investigated. The tobermorite crystal has been used as an analog of cement hydrate that is being mostly manufactured material on earth. Normal tobermorite is thermally unstable and transforms to amorphous at low pressure. Meanwhile, anomalous tobermorite with high Al content does not significantly transform under high pressure or high temperature. Conducted X-ray absorption spectroscopy explains the weak stability of normal tobermorite which was originally hypothesized by the role of zeolitic Ca ions in the cavities of silicate chains. Atomic simulations reproduced the experimentally observed trend of pressure behavior once the ideal structures were modified to account for the Al content as well as the chain defects. The simulations also suggested that the stability of tobermorite under stress could be rationalized as a self-healing mechanism in which the structural instabilities were accommodated by a global sliding of the CaO layer.Tecnalia Research & Innovation20242024-09-1320212021-04-0120212021-04-01journal articlehttp://purl.org/coar/resource_type/c_6501info:eu-repo/semantics/articlehttps://hdl.handle.net/11556/5279reponame:TECNALIA Publicationsinstname:TECNALIA Research & InnovationInglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:dsp.tecnalia.com:11556/52792026-06-12T12:42:27Z
dc.title.none.fl_str_mv Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
title Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
spellingShingle Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
Dupuis, Romain
Calcium silicate hydrate
Cement hydrate
Molecular simulation
Self-healing mechanism
Tobermorite
Building and Construction
General Materials Science
title_short Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
title_full Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
title_fullStr Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
title_full_unstemmed Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
title_sort Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
dc.creator.none.fl_str_mv Dupuis, Romain
Moon, Juhyuk
Jeong, Yeonung
Taylor, Rae
Kang, Sung Hoon
Manzano, Hegoi
Ayuela, Andrés
Monteiro, Paulo J.M.
Dolado, Jorge S.
author Dupuis, Romain
author_facet Dupuis, Romain
Moon, Juhyuk
Jeong, Yeonung
Taylor, Rae
Kang, Sung Hoon
Manzano, Hegoi
Ayuela, Andrés
Monteiro, Paulo J.M.
Dolado, Jorge S.
author_role author
author2 Moon, Juhyuk
Jeong, Yeonung
Taylor, Rae
Kang, Sung Hoon
Manzano, Hegoi
Ayuela, Andrés
Monteiro, Paulo J.M.
Dolado, Jorge S.
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Tecnalia Research & Innovation
dc.subject.none.fl_str_mv Calcium silicate hydrate
Cement hydrate
Molecular simulation
Self-healing mechanism
Tobermorite
Building and Construction
General Materials Science
topic Calcium silicate hydrate
Cement hydrate
Molecular simulation
Self-healing mechanism
Tobermorite
Building and Construction
General Materials Science
description The origin of different stability of crystalline calcium silicate hydrates was investigated. The tobermorite crystal has been used as an analog of cement hydrate that is being mostly manufactured material on earth. Normal tobermorite is thermally unstable and transforms to amorphous at low pressure. Meanwhile, anomalous tobermorite with high Al content does not significantly transform under high pressure or high temperature. Conducted X-ray absorption spectroscopy explains the weak stability of normal tobermorite which was originally hypothesized by the role of zeolitic Ca ions in the cavities of silicate chains. Atomic simulations reproduced the experimentally observed trend of pressure behavior once the ideal structures were modified to account for the Al content as well as the chain defects. The simulations also suggested that the stability of tobermorite under stress could be rationalized as a self-healing mechanism in which the structural instabilities were accommodated by a global sliding of the CaO layer.
publishDate 2021
dc.date.none.fl_str_mv 2021
2021-04-01
2021
2021-04-01
2024
2024-09-13
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/11556/5279
url https://hdl.handle.net/11556/5279
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.source.none.fl_str_mv reponame:TECNALIA Publications
instname:TECNALIA Research & Innovation
instname_str TECNALIA Research & Innovation
reponame_str TECNALIA Publications
collection TECNALIA Publications
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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