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, Dolado, Jorge S.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2021
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/250371
Acceso en línea:http://hdl.handle.net/10261/250371
Access Level:acceso abierto
Palabra clave:Calcium silicate hydrate
Cement hydrate
Tobermorite
Self-healing mechanism
Molecular simulation
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spelling Normal and anomalous self-healing mechanism of crystalline calcium silicate hydratesDupuis, RomainMoon, JuhyukJeong, YeonungTaylor, RaeKang, Sung-HoonManzano, HegoiAyuela, AndrésMonteiro, PauloDolado, Jorge S.Calcium silicate hydrateCement hydrateTobermoriteSelf-healing mechanismMolecular simulationThe 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.J.M. acknowledges support by a grant (20SCIP-C159063-01) from Construction Technology Research Program funded by Ministry of Land, Infrastructure and Transport of Korean government. H.M. acknowledges the financial support from the Gobierno Vasco (project IT912-16). The work in San Sebastián (R.D., J.S.D, A.A) was supported by the Spanish Ministry of Science and Innovation with RTI2018-098554-B-I00, PID2019-105488GB-I00 and PCI2019-103657 research grants, the Gobierno Vasco UPV/EHU (Project No. IT-1246-19), and the European Commission from the NRG-STORAGE project (GA 870114). The Institute of Engineering Research in Seoul National University provided research facilities for this work. The Ca-XAS and HPXRD experiments were performed at XAFCA beamline in Singapore Synchrotron Light Source (SSLS) and 12.2.2 beamline in Advanced Light Source (ALS), respectively. The ALS supported by a DOE Office of Science User Facility under contract no. DE-AC02-05CH11231 and the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement EAR 1606856.Peer reviewedElsevierMinistry of Science, ICT and Future Planning (South Korea)Eusko JaurlaritzaMinisterio de Ciencia, Innovación y Universidades (España)Agencia Estatal de Investigación (España)European CommissionSeoul National UniversityDepartment of Energy (US)National Science Foundation (US)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202120212021info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/250371reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-098554-B-I00info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-105488GB-I00info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PCI2019-103657info:eu-repo/grantAgreement/EC/H2020/870114https://doi.org/10.1016/j.cemconres.2021.106356Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2503712026-05-22T06:33:51Z
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
Tobermorite
Self-healing mechanism
Molecular simulation
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
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
Dolado, Jorge S.
author_role author
author2 Moon, Juhyuk
Jeong, Yeonung
Taylor, Rae
Kang, Sung-Hoon
Manzano, Hegoi
Ayuela, Andrés
Monteiro, Paulo
Dolado, Jorge S.
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Ministry of Science, ICT and Future Planning (South Korea)
Eusko Jaurlaritza
Ministerio de Ciencia, Innovación y Universidades (España)
Agencia Estatal de Investigación (España)
European Commission
Seoul National University
Department of Energy (US)
National Science Foundation (US)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Calcium silicate hydrate
Cement hydrate
Tobermorite
Self-healing mechanism
Molecular simulation
topic Calcium silicate hydrate
Cement hydrate
Tobermorite
Self-healing mechanism
Molecular simulation
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
2021
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/250371
url http://hdl.handle.net/10261/250371
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
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info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-098554-B-I00
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-105488GB-I00
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PCI2019-103657
info:eu-repo/grantAgreement/EC/H2020/870114
https://doi.org/10.1016/j.cemconres.2021.106356
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
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