Densification of the interlayer spacing governs the nanomechanical properties of calcium-silicate-hydrate

Geng, Guoqing; Myers, Rupert J.; Qomi, Mohammad Javad Abdolhosseini; Monteiro, Paulo J.  M.

doi:10.1038/s41598-017-11146-8

Title: Densification of the interlayer spacing governs the nanomechanical properties of calcium-silicate-hydrate

Journal Article · 08 September 2017 · Scientific Reports

DOI: https://doi.org/10.1038/s41598-017-11146-8 · OSTI ID:1416936

Geng, Guoqing ^[1];

^[2]; Qomi, Mohammad Javad Abdolhosseini ^[3]; Monteiro, Paulo J. M. ^[4]

Univ. of California, Berkeley, CA (United States). Dept. of Civil and Environmental Engineering
Univ. of California, Berkeley, CA (United States). Dept. of Civil and Environmental Engineering; Yale Univ., New Haven, CT (United States). School of Forestry & Environmental Studies
Univ. of California, Irvine, CA (United States). Dept. of Civil and Environmental Engineering
Univ. of California, Berkeley, CA (United States). Dept. of Civil and Environmental Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Material Science Division

Calciuam-silicate-hydrate (C-S-H) is the principal binding phase in modern concrete. Molecular simulations imply that its nanoscale stiffness is 'defect-driven', i.e., dominated by crystallographic defects such as bridging site vacancies in its silicate chains. However, experimental validation of this result is difficult due to the hierarchically porous nature of C-S-H down to nanometers. Here in this paper, we integrate high pressure X-ray diffraction and atomistic simulations to correlate the anisotropic deformation of nanocrystalline C-S-H to its atomic-scale structure, which is changed by varying the Ca-To-Si molar ratio. Contrary to the 'defect-driven' hypothesis, we clearly observe stiffening of C-S-H with increasing Ca/Si in the range 0.8 ≤ Ca/Si ≤ 1.3, despite increasing numbers of vacancies in its silicate chains. The deformation of these chains along the b-Axis occurs mainly through tilting of the Si-O-Si dihedral angle rather than shortening of the Si-O bond, and consequently there is no correlation between the incompressibilities of the a-and b-Axes and the Ca/Si. On the contrary, the intrinsic stiffness of C-S-H solid is inversely correlated with the thickness of its interlayer space. This work provides direct experimental evidence to conduct more realistic modelling of C-S-H-based cementitious material.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231; 1410557

OSTI ID:: 1416936

Journal Information:: Scientific Reports, Vol. 7, Issue 1; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 63 works

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Title: Densification of the interlayer spacing governs the nanomechanical properties of calcium-silicate-hydrate

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