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Nano-engineering of the mechanical properties of tobermorite 14 Å with graphene via molecular dynamics simulations
Highlights Graphene enhanced the in-plane tensile strength, stiffness, and toughness of tobermorite. More strengthening of graphene when interfacing with water than with solid surfaces. Strengthening ascribed to molecular friction with water between graphene–tobermorite surfaces. Influence of the interface characteristics on the mechanical behavior revealed upon loading.
Abstract The tensile and shear properties of tobermorite 14 Å-based structures reinforced with a single graphene sheet (GS) interfacing with either the surface water, octahedral calcium, or tetrahedral silicate layer were investigated using molecular dynamics simulations. The GS contributed to a significant increase in the XY-plane tensile (180%–360%) and shear (90%–225%) strengths, stiffness, and toughness while degrading the out-of-plane properties of the tobermorite structures. The water interface promoted molecular friction (intermolecular forces) and resulted in greater in-plane fracture tensile strength and toughness but a lower shear toughness than when the GS interfaced with the dry solid surfaces.
Nano-engineering of the mechanical properties of tobermorite 14 Å with graphene via molecular dynamics simulations
Highlights Graphene enhanced the in-plane tensile strength, stiffness, and toughness of tobermorite. More strengthening of graphene when interfacing with water than with solid surfaces. Strengthening ascribed to molecular friction with water between graphene–tobermorite surfaces. Influence of the interface characteristics on the mechanical behavior revealed upon loading.
Abstract The tensile and shear properties of tobermorite 14 Å-based structures reinforced with a single graphene sheet (GS) interfacing with either the surface water, octahedral calcium, or tetrahedral silicate layer were investigated using molecular dynamics simulations. The GS contributed to a significant increase in the XY-plane tensile (180%–360%) and shear (90%–225%) strengths, stiffness, and toughness while degrading the out-of-plane properties of the tobermorite structures. The water interface promoted molecular friction (intermolecular forces) and resulted in greater in-plane fracture tensile strength and toughness but a lower shear toughness than when the GS interfaced with the dry solid surfaces.
Nano-engineering of the mechanical properties of tobermorite 14 Å with graphene via molecular dynamics simulations
Al-Muhit, B. (author) / Sanchez, F. (author)
2019-10-12
Article (Journal)
Electronic Resource
English
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