Al-driven cement functionality by manifold structuring & disorder

Al-driven disordering of cements & concrete – dynamic structuring and porosity in hydrated C(A)SH cementitious nano-particles, with explicit-solvent particles. Cementitious calcium–silicate–hydrate (C–S–H) gel structures with differing aluminium (Al) content and structuring were characterised by a series of ab initio molecular dynamics (AIMD) experiments. Differing Al-binding modes and coordinations (4, 5, 6) were incorporated into dynamic …