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The crucial effect of early-stage gelation on the mechanical properties of cement hydrates

Author

Listed:
  • Katerina Ioannidou

    (Massachusetts Institute of Technology
    MIT-CNRS Joint Laboratory at Massachusetts Institute of Technology)

  • Matej Kanduč

    (Helmholtz-Zentrum Berlin für Materialien und Energie
    J. Stefan Institute)

  • Lunna Li

    (University of Cambridge)

  • Daan Frenkel

    (University of Cambridge)

  • Jure Dobnikar

    (International Research Center for Soft Matter, Beijing University of Chemical Technology
    Institute of Physics, Chinese Academy of Sciences)

  • Emanuela Del Gado

    (Institute for Soft Matter Synthesis and Metrology, Georgetown University)

Abstract

Gelation and densification of calcium–silicate–hydrate take place during cement hydration. Both processes are crucial for the development of cement strength, and for the long-term evolution of concrete structures. However, the physicochemical environment evolves during cement formation, making it difficult to disentangle what factors are crucial for the mechanical properties. Here we use Monte Carlo and Molecular Dynamics simulations to study a coarse-grained model of cement formation, and investigate the equilibrium and arrested states. We can correlate the various structures with the time evolution of the interactions between the nano-hydrates during the preparation of cement. The novel emerging picture is that the changes of the physicochemical environment, which dictate the evolution of the effective interactions, specifically favour the early gel formation and its continuous densification. Our observations help us understand how cement attains its unique strength and may help in the rational design of the properties of cement and related materials.

Suggested Citation

  • Katerina Ioannidou & Matej Kanduč & Lunna Li & Daan Frenkel & Jure Dobnikar & Emanuela Del Gado, 2016. "The crucial effect of early-stage gelation on the mechanical properties of cement hydrates," Nature Communications, Nature, vol. 7(1), pages 1-9, November.
    • Handle: RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms12106
    DOI: 10.1038/ncomms12106
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    Cited by:

    1. Shiva Shirani & Ana Cuesta & Alejandro Morales-Cantero & Isabel Santacruz & Ana Diaz & Pavel Trtik & Mirko Holler & Alexander Rack & Bratislav Lukic & Emmanuel Brun & Inés R. Salcedo & Miguel A. G. Ar, 2023. "4D nanoimaging of early age cement hydration," Nature Communications, Nature, vol. 14(1), pages 1-13, December.
    2. Xing Ming & Wen Si & Qinglu Yu & Zhaoyang Sun & Guotao Qiu & Mingli Cao & Yunjian Li & Zongjin Li, 2024. "Molecular insight into the initial hydration of tricalcium aluminate," Nature Communications, Nature, vol. 15(1), pages 1-12, December.

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