On the formation of cementitious C-S-H nanoparticles

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dc.contributor.authorManzano, H.
dc.contributor.authorAyuela, A.
dc.contributor.authorDolado, J. S.
dc.contributor.institutionTecnalia Research & Innovation
dc.date.accessioned2024-07-24T12:06:52Z
dc.date.available2024-07-24T12:06:52Z
dc.date.issued2007-04
dc.description.abstractThis work explores from a theoretical viewpoint the underlying growth mechanisms which govern the formation of the most important hydration product present in cementitious environments, the so called C-S-H (calcium-silicate- hydrate) gel. Aiming at identifying the basic building blocks which make up the cementitious C-S-H gel, we have performed ab-initio calculations at the Hartree Fock (HF) level. Two different growth mechanisms have been identified depending on the amount of Si and Ca ions, which naturally lead to the appearance of tobermorite-like and jennite-like nano-crystals.en
dc.description.sponsorshipAcknowledgements H. Manzano acknowledges the grant received from the “Fundación Centros Tecnológicos Iñaki Goenaga”. Thanks are due to the Basque Government for funding NANOMA-TERIALES project, under the ETORTEK programme. We also wish to acknowledge The Spanish Government for the concession of the project MONACEM (Ref-MAT2005-03890) within the frame-work of the “Plan Nacional de Ciencia y Tecnología”. Finally, the computing resources from the Supercomputation Center of Galicia (CESGA) are gratefully acknowledged.
dc.description.statusPeer reviewed
dc.format.extent7
dc.identifier.citationManzano , H , Ayuela , A & Dolado , J S 2007 , ' On the formation of cementitious C-S-H nanoparticles ' , Journal of Computer-Aided Materials Design , vol. 14 , no. 1 , pp. 45-51 . https://doi.org/10.1007/s10820-006-9030-0
dc.identifier.doi10.1007/s10820-006-9030-0
dc.identifier.issn0928-1045
dc.identifier.urihttps://hdl.handle.net/11556/3705
dc.identifier.urlhttp://www.scopus.com/inward/record.url?scp=33947191598&partnerID=8YFLogxK
dc.language.isoeng
dc.relation.ispartofJournal of Computer-Aided Materials Design
dc.relation.projectIDFundación Centros Tecnológicos Iñaki Goenaga, FCT-IG
dc.relation.projectIDEusko Jaurlaritza
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subject.keywordsAb-initio calculations
dc.subject.keywordsC-S-H gel
dc.subject.keywordsCement-based materials
dc.subject.keywordsJennite
dc.subject.keywordsSelf-assembly
dc.subject.keywordsTobermorite
dc.subject.keywordsGeneral Materials Science
dc.subject.keywordsComputer Science Applications
dc.subject.keywordsComputational Theory and Mathematics
dc.titleOn the formation of cementitious C-S-H nanoparticlesen
dc.typejournal article
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