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Molecular Dynamics Simulations of Graphene Pull-Out from Calcium Silicate Hydrate
In recent years, the additions of nanomaterials as reinforcements for cement have attracted great interests. However, the understanding of the interfacial properties between these nanomaterials and the cement matrix is still limited. In this study, molecular dynamics (MD) simulations are conducted to investigate the graphene pull-out from calcium silicate hydrate (C-S-H). The jennite is simulated to model the structure of C-S-H. The graphene sheet is pulled out from the jennite matrix by 5 Å each time. The pull-out energy is found to increase linearly with the pull-out displacement. The pull-out force keeps constant (0.538N/m) throughout the pull-out process. This reinforcing mechanism is different with that of the microfibers (or macrofibers) and further research is needed to understand the role of nanomaterials in cement composites.
Molecular Dynamics Simulations of Graphene Pull-Out from Calcium Silicate Hydrate
In recent years, the additions of nanomaterials as reinforcements for cement have attracted great interests. However, the understanding of the interfacial properties between these nanomaterials and the cement matrix is still limited. In this study, molecular dynamics (MD) simulations are conducted to investigate the graphene pull-out from calcium silicate hydrate (C-S-H). The jennite is simulated to model the structure of C-S-H. The graphene sheet is pulled out from the jennite matrix by 5 Å each time. The pull-out energy is found to increase linearly with the pull-out displacement. The pull-out force keeps constant (0.538N/m) throughout the pull-out process. This reinforcing mechanism is different with that of the microfibers (or macrofibers) and further research is needed to understand the role of nanomaterials in cement composites.
Molecular Dynamics Simulations of Graphene Pull-Out from Calcium Silicate Hydrate
Li, Chen Yang (author) / Chen, Shu Jian (author) / Lu, Ye (author) / Duan, Wen Hui (author)
10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures ; 2015 ; Vienna, Austria
CONCREEP 10 ; 913-918
2015-09-18
Conference paper
Electronic Resource
English
Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations
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Large-scale simulation of calcium silicate hydrate by molecular dynamics
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