Nano-engineering of the mechanical properties of tobermorite 14 Å with graphene via molecular dynamics simulations

被引：24
作者：
Al-Muhit, B. [1 ]
Sanchez, F. [1 ]
机构：
[1] Vanderbilt Univ, Dept Civil & Environm Engn, PMB 351831,2301 Vanderbilt Pl, Nashville, TN 37235 USA
来源：
CONSTRUCTION AND BUILDING MATERIALS | 2020年 / 233卷
基金：
美国国家科学基金会;
关键词：
Molecular dynamics; Nanocomposite; Tobermorite; Graphene; Interface; Molecular friction; Mechanical properties; CALCIUM-SILICATE-HYDRATE; C-S-H; ELASTIC PROPERTIES; INTERACTION ENERGIES; CEMENT; BEHAVIOR; SCALE; NANOINDENTATION; CONCRETE; CLAY;
D O I：
10.1016/j.conbuildmat.2019.117237
中图分类号：
TU [建筑科学];
学科分类号：
0813 ;
摘要：
The tensile and shear properties of tobermorite 14 angstrom-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. (C) 2019 Elsevier Ltd. All rights reserved.
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页数：22
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