Evidence on the Dual Nature of Aluminum in the Calcium-Silicate-Hydrates Based on Atomistic Simulations

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Effect of temperature and aluminium on calcium (alumino)silicate hydrate chemistry under equilibrium conditions (2015, background): “Al substitutes into bridging sites with strong preference over paired sites in these chains [15, 16].”
Carbon nanotube (CNT) incorporated cementitious composites for functional construction materials: The state of the art (2019, methodology): “The atomistic approaches such as the ab initio [128,129], the molecular dynamics (MD) [130–133], and the energy minimization”
Physical Origins of Thermal Properties of Cement Paste (2015, methodology): “Following a combinatorial scheme, these models are constructed by structural and chemical modification of 11-Å tobermorite [33,34].”
Phillipsite and Al-tobermorite mineral cements produced through low-temperature water-rock reactions in Roman marine concrete (2017, background): “It is not clear how these spectra might record possible octahedrally coordinated Al 3+ substitution for Ca 2+ within the interlayer of the crystals (Abdolhosseini Qomi et al. 2012).”