RT Journal Article T1 X-ray spectra and theoretical elastic properties of crystalline calcium silicate hydrates: Comparison with cement hydrated gels T2 Espectros de rayos X y propiedades elásticas teóricas de los silicatos cálcicos hidratados cristalinosComparación con los geles de cemento A1 Manzano, H. A1 González-Teresa, R. A1 Dolado, J. S. A1 Ayuela, A. AB For 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. SN 0465-2746 YR 2010 FD 2010 LK https://hdl.handle.net/11556/3553 UL https://hdl.handle.net/11556/3553 LA eng NO Manzano , H , González-Teresa , R , Dolado , J S & Ayuela , A 2010 , ' X-ray spectra and theoretical elastic properties of crystalline calcium silicate hydrates : Comparison with cement hydrated gels ' , Materiales de Construccion , vol. 60 , no. 299 , pp. 7-19 . https://doi.org/10.3989/mc.2010.57310 DS TECNALIA Publications RD 30 jul 2024