Nano-granular texture of cement hydrates

Mechanical behavior of concrete crucially depends on cement hydrates, the "glue" of cement. The design of high performance and more environmentally friendly cements demands a deeper understanding of the formation of the multiscale structure of cement hydrates, when they precipitate and den...

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Bibliographic Details
Main Authors: Levitz, Pierre, Del Gado, Emanuela, Ioannidou, Aikaterini, Ulm, Franz-Josef, Pellenq, Roland Jm
Other Authors: Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
Format: Article
Published: EDP Sciences 2018
Online Access:http://hdl.handle.net/1721.1/113305
https://orcid.org/0000-0001-5454-5418
https://orcid.org/0000-0002-7089-8069
https://orcid.org/0000-0001-5559-4190
Description
Summary:Mechanical behavior of concrete crucially depends on cement hydrates, the "glue" of cement. The design of high performance and more environmentally friendly cements demands a deeper understanding of the formation of the multiscale structure of cement hydrates, when they precipitate and densify. We investigate the precipitation and setting of nano-grains of cement hydrates using a combination of Monte Carlo and Molecular Dynamics numerical simulations and study their texture from nano up to the micron scale. We characterize the texture of cement hydrates using the local volume fraction distribution, the pore size distribution, the scattering intensity and the chord length distribution and we compare them with experiments. Our nano-granular model provides cement structure with realistic texture and mechanics and can be further used to investigate degradation mechanisms. © 2017 The Authors, published by EDP Sciences