Mechanical properties of crystalline calcium‐silicate‐hydrates: comparison with cementitious C‐S‐H gels

Manzano, Hegoi; Dolado, Jorge S.; Guerrero, A.; Ayuela, Andrés

doi:10.1002/pssa.200675359

Cited by 134 publications

(115 citation statements)

References 12 publications

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“…Only theoretical calculations of the foshagite elastic tensor by DFT methods (24). Our results (20,21) using these fields are also in good agreement with these works.…”

Section: Methodssupporting

confidence: 85%

“…(20,21), based on well-known potentials for zeolites and calcium oxide (22,23). This set describes well both structures and elastic properties of the calcium silicates alite and belite, with a good agreement with their experimental data (20,21). Experimental data regarding the elastic properties of crystalline CSH phases were not found in the literature on cements.…”

Section: Methodsmentioning

confidence: 61%

“…Nuestro conjunto de potenciales interatómicos es el empleado en las Refs. (20,21), basado en los ya conocidos potenciales para zeolitas y óxido de calcio (22,23). Estos potenciales describen bien tanto las estructuras como las propiedades elásticas de los silicatos cálcicos alita y belita, con una buena concordancia experimental (20,21).…”

Section: Métodos Computacionalesunclassified

“…Solamente se han encontrado cálculos teóricos del tensor elástico de la foshagita mediante métodos DFT (24). Nuestros resultados (20,21), usando estos métodos, concuerdan bien con los citados trabajos. moduli of the constituent particles the interpretation of the measured value in terms of gel nanoparticles is hampered by the absence of data on the elastic properties of crystalline calcium silicate hydrates.…”

Section: Métodos Computacionalesunclassified

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Espectros de rayos X y propiedades elásticas teóricas de los silicatos cálcicos hidratados cristalinos: comparación con los geles de cemento

Manzano¹,

González-Teresa²,

Dolado³

et al. 2010

Mater. construcc.

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Espectros de rayos X y propiedades elásticas teóricas de los silicatos cálcicos hidratados cristalinos: comparación con los geles de cemento X-ray spectra and theoretical elastic properties of crystalline calcium silicate hydrates: comparison with cement hydrated gels H. Manzano RESUMENEn este trabajo se han calculado para 22 Silicatos Cál-cicos Hidratados cristalinos, su estructura y sus propiedades elásticas mediante métodos atomísticos "force field", así como simulado sus espectros de difracción de rayos X. De los módulos de Young calculados se puede deducir, que los parámetros clave que determinan las propiedades elásticas de los Silicatos Cálcicos Hidratados cristalinos son la densidad y el contenido en agua. Nuestros resultados muestran que los valores experimentales de la densidad y de los módulos de Young para el gel C-S-H están dentro del rango de los cristales de CSH calculados. Sin embargo, podemos concluir que para establecer una correlación más directa sería necesario investigar el papel que juegan el agua y sobre todo el Ca y Si, mediante la relación C/S, en la estructura del gel CSH.Palabras clave: gel CSH, silicatos cálcicos hidratados cristalinos, propiedades elásticas, nanoestructura, simulación atomística, rayos X. SUMMARYFor 22 crystalline Calcium Silicates Hydrates, we have calculated their structure and their elastic properties by atomistic force field methods as well as simulate their Xray diffraction patterns. From the computed Young moduli, it can be suggested that the key parameters to determine the elastic properties of crystalline Calcium Silicate Hydrates are densities and water content. We have compared these trends with those of cementitious C-S-H gel and synthetic C-S-H type I as a function of their C/S ratios and nominal water content. Our comparison show that the experimentally suggested values of density and Young moduli for C-S-H gel lie in the range of the calculated CSH crystals. However, we conclude that a detailed correspondence might require investigating structurally within CSH gels the role of water and especially of Ca and Si sites through their C/S ratio. INTRODUCCIÓNEl cemento es un material complejo y multicomponente, donde diversas fases cristalinas están rodeadas por un producto amorfo de hidratación llamado Silicato Cálcico Hidratado (gel CSH). El gel CSH tiene una estequiometría variable, caracterizada normalmente por su contenido en agua y su relación calcio silicio (C/S), que se sitúa entre 1,2 y 2,1. Representa más del 70% en peso de la pasta del cemento y, por lo tanto, es el mayor responsable de sus propiedades (1-2). Debido a su naturaleza amorfa, la estructura del gel CSH no ha sido resuelta todavía y se usan modelos estructurales para describirla. El más aceptado describe el gel como una versión imperfecta de los minerales de tobermorita y/o jennita (3-4). Estos minerales tienen una estructura laminar compuesta por capas de CaO rodeadas a ambos lados por cadenas de silicatos que siguen una disposición Dreierketten (5-6). Tanto la tobermorita como la je...

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“…Only theoretical calculations of the foshagite elastic tensor by DFT methods (24). Our results (20,21) using these fields are also in good agreement with these works.…”

Section: Methodssupporting

confidence: 85%

Section: Methodsmentioning

confidence: 61%

Section: Métodos Computacionalesunclassified

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Espectros de rayos X y propiedades elásticas teóricas de los silicatos cálcicos hidratados cristalinos: comparación con los geles de cemento

Manzano¹,

González-Teresa²,

Dolado³

et al. 2010

Mater. construcc.

Self Cite

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“…In nanoindentation studies, it has been shown that decalcification of C-S-H reduces the modulus of elasticity [8,9]. The modulus values computed from the dynamic molecular modeling and free energy minimization methods for various layered silicate systems are significantly higher than those obtained from experimental techniques [10][11][12]. These measurements do not follow any specific trend regarding their dependence on the C/S ratio of the material.…”

Section: /34mentioning

confidence: 99%

Dimensional change and elastic behavior of layered silicates and Portland cement paste

Beaudoin

Raki

Alizadeh

et al. 2010

Cement and Concrete Composites

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/npsi/ctrl?lang=en http://nparc.cisti-icist.nrc-cnrc.gc.ca/npsi/ctrl?lang=fr Access and use of this website and the material on it are subject to the Terms and Conditions set forth at http://nparc.cisti-icist.nrc-cnrc.gc.ca/npsi/jsp/nparc_cp.jsp?lang=en NRC Publications Archive Archives des publications du CNRCThis publication could be one of several versions: author's original, accepted manuscript or the publisher's version. / La version de cette publication peut être l'une des suivantes : la version prépublication de l'auteur, la version acceptée du manuscrit ou la version de l'éditeur. For the publisher's version, please access the DOI link below./ Pour consulter la version de l'éditeur, utilisez le lien DOI ci-dessous.http://dx.doi.org/10. 1016/j.cemconcomp.2009.09.004 Cement and Concrete Composites, 31, 9, p. 34, 2009-09-01 Dimensional change and elastic behaviour of layered silicates and Portland cement paste Beaudoin, J. J.; Raki, L.; Alizadeh, R.; Mitchell, L. D. ABSTRACTThe role of water in hydrated Portland cement paste (hpc) is germane to understanding the nature of nanostructure -property relationships of the material. The irreversible dimensional changes of hpc and phase pure C-S-H that occur on wetting and drying are dissimilar to those observed for other silicate minerals of interest to cement science. This irreversibility in hpc is also observed for the modulus of elasticity parameter. Length change, mass change and modulus of elasticity isotherms (including drying-wetting cycles) were determined for specimens of hpc, Camontmorillonite and 1.4 nm tobermorite. Length change and modulus of elasticity versus mass loss curves were also obtained for phase pure C-S-H (C/S= 0.8,1.0 and 1.5). All the isotherms exhibit significant irreversible behaviour. Similarities and differences in the nature and character of the isotherms and the relevance of the C-S-H data are discussed. Inferences are made with respect to the nanostructural nature of hpc, its dimensional response in aqueous media and the correspondence in behaviour of synthetic C-S-H and that formed in hpc. It is apparent that hpc has unique characteristics that are responsible for stability.

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Materials Structure of Concrete

2022

Advanced Concrete Technology

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Mechanical properties of crystalline calcium‐silicate‐hydrates: comparison with cementitious C‐S‐H gels

Cited by 134 publications

References 12 publications

Espectros de rayos X y propiedades elásticas teóricas de los silicatos cálcicos hidratados cristalinos: comparación con los geles de cemento

Espectros de rayos X y propiedades elásticas teóricas de los silicatos cálcicos hidratados cristalinos: comparación con los geles de cemento

Dimensional change and elastic behavior of layered silicates and Portland cement paste

Materials Structure of Concrete

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