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Nanoscale shear cohesion between cement hydrates: The role of water diffusivity under structural and electrostatic confinement

Lookup NU author(s): Dr Eduardo Duque RedondoORCiD, Dr Eric Masoero

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This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License (CC BY-NC-ND).


Abstract

© 2022 The Authors. The calcium silicate hydrate (C-S-H) controls most of the final properties of the cement paste, including its mechanical performance. It is agreed that the nanometer-sized building blocks that compose the C-S-H are the origin of the mechanical properties. In this work, we employ atomistic simulations to investigate the relaxation process of C-S-H nanoparticles subjected to shear stress. In particular, we study the stress relaxation by rearrangement of these nanoparticles via sliding adjacent C-S-H layers separated by a variable interfacial distance. The simulations show that the shear strength has its maximum at the bulk interlayer space, called perfect contact interface, and decreases sharply to low values for very short interfacial distances, coinciding with the transition from 2 to 3 water layers and beginning of the water flow. The evolution of the shear strength as a function of the temperature and ionic confinement confirms that the water diffusion controls the shear strength.


Publication metadata

Author(s): Duque-Redondo E, Masoero E, Manzano H

Publication type: Article

Publication status: Published

Journal: Cement and Concrete Research

Year: 2022

Volume: 154

Print publication date: 01/04/2022

Online publication date: 18/01/2022

Acceptance date: 10/01/2022

Date deposited: 21/02/2022

ISSN (print): 0008-8846

ISSN (electronic): 1873-3948

Publisher: Elsevier Ltd

URL: https://doi.org/10.1016/j.cemconres.2022.106716

DOI: 10.1016/j.cemconres.2022.106716


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Funding

Funder referenceFunder name
Departamento de Educación, Política Lingüística y Cultura del Gobierno Vasco” (IT912-16, IT1639-22)
postdoctoral fellowship from “Programa Posdoctoral de Perfeccionamiento de Personal Investigador Doctor” of the Basque Government

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