Manzano, H.Dolado, J. S.Guerrero, A.Ayuela, A.2024-07-242024-07-242007-06Manzano , H , Dolado , J S , Guerrero , A & Ayuela , A 2007 , ' Mechanical properties of crystalline calcium-silicate-hydrates : Comparison with cementitious C-S-H gels ' , Physica Status Solidi (A) Applications and Materials Science , vol. 204 , no. 6 , pp. 1775-1780 . https://doi.org/10.1002/pssa.2006753591862-6300https://hdl.handle.net/11556/3877This work explores from a theoretical viewpoint the mechanical properties of the most important hydration product present in cementitious environments, the so called C-S-H (calcium-silicate-hydrate) gel. The dependence of the bulk (K), shear (G) and Young's (E) modulus for the C-S-H crystals respect to its composition and the length of its silicate chains is analysed by lattice dynamic simulations with parameterised two-body and three-body potentials. Our simulations reveal that the mechanical properties of C-S-H crystals show a strong dependence on their composition. Nevertheless our calculated numbers systematically overestimate the experimental values for C-S-H gels. Only when the finite length of the silicate chains is taken into account this discrepancy disappears.6enginfo:eu-repo/semantics/restrictedAccessjournal article10.1002/pssa.200675359Electronic, Optical and Magnetic MaterialsCondensed Matter PhysicsSurfaces and InterfacesSurfaces, Coatings and FilmsElectrical and Electronic EngineeringMaterials Chemistryhttp://www.scopus.com/inward/record.url?scp=34547143836&partnerID=8YFLogxK