Journal
CHEMICAL PHYSICS LETTERS
Volume 825, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2023.140632
Keywords
Calcium silicate hydrate (C -S -H); Interlayer spacing; Mechanical properties; Molecular Dynamics (MD) simulation
Ask authors/readers for more resources
This paper proposes a new composite C-S-Hs model to more realistically represent the layered feature of C-S-H. The larger interlayer space in the model allows for sufficient water adsorption and arrangement of C-S-H cells. The random arrangement of multiple C-S-H cells and additional water molecule adsorption significantly affect the composite C-S-Hs system. Uniaxial tension tests with different strain rates show that the mechanical properties of the composite C-S-Hs model are closer to those of cementitious materials on the macroscopic scale. The simulation results highlight the impact of strain rate and interlayer spacing on the characteristics of the multiple C-S-Hs model.
Many researches have been conducted to study the properties of calcium silicate hydrate (C-S-H) using numerical modeling. However, there still exists a large gap between the mechanical characteristics of C-S-H. A new composite C-S-Hs model is proposed to more realistically represent the layered feature in this paper. Compared with regularly-arranged C-S-Hs model, larger interlayer space provides sufficient space for water adsorption and the arrangement of C-S-H cells. The random arrangement of multiple C-S-H cells and additional water molecule adsorption have a significant impact on the composite C-S-Hs system. Uniaxial tension tests with different strain rates are utilized to investigate the mechanical properties of the composite C-S-Hs model compared with those of regularly arranged C-S-H cells. The simulation results demonstrate that the mechanical properties of the composite C-S-Hs model are closer to those of cementitious materials on the macroscopic scale. The simulation results highlight the impact of strain rate and interlayer spacing on the characteristics of the multiple C-S-Hs model. The proposed composite C-S-Hs model provides a more reasonable procedure for molecular dynamics simulation of C-S-H.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available