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Uniaxial tension study of calcium silicate hydrate (C–S–H): structure, dynamics and mechanical properties
Hou D.2; Zhang J.3; Li Z.3; Zhu Y.1
2015-11-01
Source PublicationMaterials and Structures/Materiaux et Constructions
ISSN13595997
Volume48Issue:11Pages:3811-3824
AbstractCalcium 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.
KeywordCa/Si ratio C–S–H Molecular simulation Uniaxial tension test
DOI10.1617/s11527-014-0441-1
URLView the original
Language英語
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Cited Times [WOS]:44   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionUniversity of Macau
Affiliation1.Henan Polytechnic University
2.Qingdao University of Technology
3.Hong Kong University of Science and Technology
Recommended Citation
GB/T 7714
Hou D.,Zhang J.,Li Z.,et al. Uniaxial tension study of calcium silicate hydrate (C–S–H): structure, dynamics and mechanical properties[J]. Materials and Structures/Materiaux et Constructions,2015,48(11):3811-3824.
APA Hou D.,Zhang J.,Li Z.,&Zhu Y..(2015).Uniaxial tension study of calcium silicate hydrate (C–S–H): structure, dynamics and mechanical properties.Materials and Structures/Materiaux et Constructions,48(11),3811-3824.
MLA Hou D.,et al."Uniaxial tension study of calcium silicate hydrate (C–S–H): structure, dynamics and mechanical properties".Materials and Structures/Materiaux et Constructions 48.11(2015):3811-3824.
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