Journal
PHYSICAL REVIEW MATERIALS
Volume 3, Issue 6, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevMaterials.3.065603
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Funding
- Department of Energy's Nuclear Energy University Program (DOE-NEUP) [18-15020]
- National Science Foundation [1562066]
- China Scholarship Council [201706120252]
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Although concrete is the world's most widely used manufactured material, basic questions persist regarding the nature of its binding phase, namely, the calcium-silicate-hydrate (C-S-H) gel. Here, based on reactive molecular dynamics simulations, we address the following fundamental question: Is the chemical composition of C-S-H controlled by the kinetics or thermodynamics of its precipitation? As a major outcome of this study, we demonstrate that the average stoichiometry of the C-S-H gel forming upon the hydration of ordinary portland cement (i.e., Ca/Si = 1.75) is determined by the composition of the C-S-H phase presenting the fastest precipitation kinetics, rather than the highest thermodynamic stability.
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