The main hydration product of Mg/silicate cements is magnesium silicate hydrate (M-S-H), whose composition evolves with time and environmental interactions [refs 1,2], with Mg/Si ratios ranging from 0.67 to 1.5, variable water content, and potential Al incorporation. Atomistic models of M-(A)-S-H remain largely unexplored [ref 4], and most of their properties are still unknown, making it difficult to establish composition–property relationships.

This project aims to elucidate the atomic-scale structure of (alumino)silicate magnesium hydrates (M-(A)-S-H) by combining experimental techniques and atomistic simulations, and to estimate their mechanical properties. The study will focus on M-(A)-S-H compositions relevant to nuclear applications or new low carbon cement matrices.