Elastic properties of the main species present in Portland cement pastes

The elastic properties of the most important phases present in cement pastes have been studied by force field atomistic methods. Calculations reproduce the mechanical properties of crystalline species alite, belite and portlandite fairly well. The elastic properties of amorphous calcium–silicate–hydrate (C–S–H) gel are also explained in terms of the commonly used structural models 1.4 nm tobermorite and jennite, once the intrinsic porosity and the silicate chain length are concurrently considered through the appropriate micromechanical models. The findings conclude that bringing the atomic structure into contact with the mechanical properties of C–S–H gel may modify the actual view of the gel.