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Chen, Y. (author), Dolado, Jorge S. (author), Li, Z. (author), Yin, Suhong (author), Yu, Qijun (author), Kostiuchenko, A. (author), Ye, G. (author)
In this paper, the atomic structures of sodium aluminosilicate hydrate (N–A–S–H) gels with different Si/Al ratios are studied by molecular dynamics simulation. An N–A–S–H gel model was obtained from the polymerization of Si(OH)<sub>4</sub> and Al(OH)<sub>3</sub> monomers with the use of a reactive force field (ReaxFF). The simulated atomic...
journal article 2022
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Chen, Yun (author), Dolado, Jorge S. (author), Yin, Suhong (author), Yu, Qijun (author), Kostiuchenko, Albina (author), Li, Zhenming (author), Ye, Guang (author)
The understanding of sodium aluminosilicate hydrate (N-A-S-H) gel is still limited due to its complex and amorphous structure. Recently, molecular dynamics simulation has provided a unique opportunity to better understand the structure of N-A-S-H gel from nanoscale. In this work, the N-A-S-H gel structure was obtained by simulating the...
conference paper 2021
document
Chen, Y. (author), Dolado, Jorge S. (author), Yin, Suhong (author), Yu, Qijun (author), Kostiuchenko, A. (author), Li, Z. (author), Ye, G. (author)
The understanding of sodium aluminosilicate hydrate (N-A-S-H) gel is still limited due to its complex and amorphous structure. Recently, molecular dynamics simulation has provided a unique opportunity to better understand the structure of N-A-S-H gel from nanoscale. In this work, the N-A-S-H gel structure was obtained by simulating the...
conference paper 2021
document
Yu, Z. (author), Ye, G. (author), Van Breugel, K. (author), Chen, W. (author)
Deterioration of microstructure in cement concrete will cause changes in the transport properties of the concrete. Transport properties at different ages of the concrete provide information about the microstructural changes of the material. A way to measure the transport properties, i.e. the chloride diffusion coefficient, in the laboratory is...
conference paper 2014
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