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• W3157037340 endingPage "123242" @default.
• W3157037340 startingPage "123242" @default.
• W3157037340 abstract "As the silicon counterpart of graphene, silicene has a great potential in reinforcing cement-based materials due to its outstanding physical properties. In this paper, the surface structure, bonding, mechanical performance and failure mechanism of silicene reinforced calcium-silicate-hydrate composite (C-S-H/silicene) with different humidity were investigated by molecular dynamics simulations. It has been demonstrated that the incorporation of silicene nanosheet can effectively bridge the upper and lower layers of C-S-H and enhance the strength and stability of the interlayer region of C-S-H via various chemical bonds (e.g. Si-Os-Si covalent bonds). This bridging effect provided by silicene nanosheet significantly improves the strength and plasticity of C-S-H. However, the penetration of water molecules may weaken the stability of these chemical bonds, leading to the degradation of tensile strength. Besides, C-S-H/silicene breaks in the internal area rather than interlayers in a dry state during the failure process. This can be explained that Si-Os-Si bonds are strong enough to connect the silicene sheet and C-S-H layers and hinder the propagation of cracks. Hopefully, the reinforce mechanism of silicene on C-S-H could provide new insights on understanding and predicting performance of silicene under specific conditions." @default.
• W3157037340 created "2021-05-10" @default.
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• W3157037340 date "2021-07-01" @default.
• W3157037340 modified "2023-09-24" @default.
• W3157037340 title "A molecular dynamics study of silicene reinforced cement composite at different humidity: Surface structure, bonding, and mechanical properties" @default.
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• W3157037340 doi "https://doi.org/10.1016/j.conbuildmat.2021.123242" @default.
• W3157037340 hasPublicationYear "2021" @default.
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