The bottom-up modeling approach to cement paste (INVITED)

Abstract eng:
Strength and other mechanical properties of cement paste and concrete rely upon the formation of Calcium–Silicate–Hydrates (C–S– H) during cement hydration. Here we propose a novel description of the C–S–H meso-scale texture with an opportunity to translate results from the fundamental (nano) scale to the macro-scale of engineering properties. We use simulations that combine information of the nano-scale building units of C–S–H and on their effective interactions, obtained from atomistic simulations and experiments, into a statistical physics framework for aggregating nanoparticles. We compute small angle scattering intensities, pore size distributions, local densities, indentation modulus of the material, providing a new quantitative understanding of different experimental investigations. Our results lead to a quantitative insight into how the heterogeneities developed during the early stages of hydration persist in the structure of C–S– H and impact the mechanical performance of the hardened cement paste. .

• Export as: BibTeX | MARC | MARCXML | DC | EndNote | NLM | RefWorks
• Add to your basket