Despite advances in the characterization and modeling of cement hydrates, the atomic order in Calcium-Silicate-Hydrate (C-S-H), the binding phase of cement, remains an open question. Indeed, in contrast to the former crystalline model, recent molecular models suggest that the nanoscale structure of C-S-H is amorphous. To elucidate this issue, we analyzed the structure of a realistic simulated m...

A poorly crystalline class of calcium silicate hydrates known as C–S–H possesses extensive disorder and structural variations at the nanometer scale. The extent of these variations has generally obscured a comprehensive understanding of the C–S–H nanostructure, but new relationships between solubility and structure appear to shed new light on this old problem. These relationships were inspired ...

Cementitious materials are considered to be a waste form for the ultimate disposal of radioactive materials in geological repositories. We investigated by means of atomistic simulations the encapsulation of strontium-90, an important radionuclide, in calcium–silicate–hydrate (C–S–H) and its crystalline analog, the 9 Å-tobermorite. C–S–H is the major binding phase of cement. Strontium was shown ...

Unraveling the mechanisms behind the processes of cell attachment and the enhanced proliferation that occurs as a response to the presence of calcium silicate-based materials needs to be better understood so as to expand the applications of silicate-based materials. Ions in the environment may influence apatite precipitation and affect silicate ion release from silicate-based materials. Thus, t...