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Uniaxial tension study of calcium silicate hydrate (C–S–H): structure, dynamics and mechanical properties

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Abstract

Calcium silicate hydrate (C–S–H) gels, the main binding phase of cement paste, determine the mechanical properties of cementitious materials. In order to obtain the cohesive force in C–S–H gel, molecular dynamics was carried out to simulate the uniaxial tension test on C–S–H model along x, y and z direction. Due to the structure and dynamic differences of the layered structure, C–S–H model demonstrates heterogeneous mechanical behavior. The calcium silicate layer, constructed by Ca–O and Si–O ionic-covalent bonds, has stronger cohesive force than that of interlayer H-bond network. In addition, composition influence on mechanical performance has been investigated by variation of the Ca/Si ratio. High calcium content, de-polymerizing the silicate chain structure in C–S–H gel, weakens uniaxial tension strength and elastic modulus in three directions. More water molecules penetration into the defective silicate region further reduces the mechanical properties of C–S–H gel at high Ca/Si ratio. Composition analysis at nano-scale can provide molecular insights on the cementitious materials design with different Ca/Si ratios.

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Acknowledgments

Financially support from the China Ministry of Science and Technology under Grant 2015CB655104 and the Chinese National Natural Science Foundation (NSF) under Grant 51178230 and 51378269, Major International Joint Research Project under Grant 51420105015 are gratefully acknowledged.

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Authors and Affiliations

  1. Qingdao Technological University (Cooperative Innovation Center of Engineering Construction and Safety in Shandong Blue Economic Zone), Qingdao, China

    Dongshuai Hou

  2. Department of Civil and Environmental Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong

    Jinrui Zhang & Zongjin Li

  3. Department of Civil Engineering, Henan Polytechnic University, Jiaozuo, Henan, China

    Yu Zhu

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  1. Dongshuai Hou
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Correspondence to Jinrui Zhang.

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Hou, D., Zhang, J., Li, Z. et al. Uniaxial tension study of calcium silicate hydrate (C–S–H): structure, dynamics and mechanical properties. Mater Struct 48, 3811–3824 (2015). https://doi.org/10.1617/s11527-014-0441-1

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