Influence of nanosheet size and oxygen-containing functional group content on the reinforcing efficiency of graphene oxide on cementitious composites

IF 3.5 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Junxiang Hu, Shuaijie Lu, Xinlei Mao, Jiahao Luo, Siyao Wang, Yuan Gao
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Abstract

Dispersion is crucial in the reinforcement efficiency of graphene oxide (GO) in cementitious composite modification. However, the generally used nanomaterial dispersion methods commonly affect the physical size and functional group proportion of GO, thus weakening the reinforcing effects of the cement reinforcement. In the present study, the molecular dynamical (MD) simulation was employed to investigate the tensile mechanical properties of calcium silicate hydrate (C–S–H)/GO composites under different physical sizes and oxygen-containing functional group contents of GO nanosheets. The results demonstrate that the mixed GO nanosheet reinforces the C–S–H via ductility and strain energy density reinforcement from the MD perspective rather than a macroscopic peak strength improvement. Benefiting from the crack-bridging roles of GO, the ductility and strain energy density of C–S–H composites can be strengthened by up to 53.6–66.7%. A new "danger interval" mechanism is found in GO modification cementitious composites. With an increment of the physical size and oxygen-containing functional group content of inserted GO, the peak stress, ductility, and strain energy density of the GO/C–S–H composites all demonstrate a first declining and then rising trend, hitting the lowest value at 0.18 oxygen–carbon ratio and 0.48 size ratio with C–S–H in the z-axis direction. The tensile strain and stress characteristics further illustrate that inadequate nanosheet size and oxygen-containing functional group content weaken the ability of strain/stress redistribution capability of GO, thus limiting the reinforcement efficiency of the GO. The findings of this study would not only board the reinforcing mechanism of GO in cement-based materials but also guide the reasonable GO-reinforced cementitious composite manufacture in the future practical engineering.

纳米片尺寸和含氧官能团含量对氧化石墨烯在胶凝复合材料上增强效能的影响
在胶凝复合材料改性中,分散性是影响氧化石墨烯增强效果的关键因素。然而,通常采用的纳米材料分散方法通常会影响氧化石墨烯的物理尺寸和官能团比例,从而削弱水泥增强材料的增强效果。本研究采用分子动力学(MD)模拟方法研究了水合硅酸钙(C-S-H)/氧化石墨烯复合材料在不同物理尺寸和氧化石墨烯纳米片含氧官能团含量下的拉伸力学性能。结果表明,混合氧化石墨烯纳米片增强C-S-H的主要途径是塑性和应变能密度增强,而不是宏观峰值强度的提高。由于氧化石墨烯的桥接作用,C-S-H复合材料的延性和应变能密度可提高53.6 ~ 66.7%。在氧化石墨烯改性胶凝复合材料中发现了一种新的“危险区间”机制。随着添加GO的物理尺寸和含氧官能团含量的增加,GO/ C-S-H复合材料的峰值应力、塑性和应变能密度在z轴方向均呈现先下降后上升的趋势,在氧碳比0.18和C-S-H尺寸比0.48处达到最低点。拉伸应变和应力特征进一步说明,纳米片尺寸和含氧官能团含量不足削弱了氧化石墨烯的应变/应力重分布能力,从而限制了氧化石墨烯的增强效率。本研究结果不仅可以揭示氧化石墨烯在水泥基材料中的增强机理,还可以指导未来实际工程中合理制备氧化石墨烯增强水泥基复合材料。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Materials Science
Journal of Materials Science 工程技术-材料科学:综合
CiteScore
7.90
自引率
4.40%
发文量
1297
审稿时长
2.4 months
期刊介绍: The Journal of Materials Science publishes reviews, full-length papers, and short Communications recording original research results on, or techniques for studying the relationship between structure, properties, and uses of materials. The subjects are seen from international and interdisciplinary perspectives covering areas including metals, ceramics, glasses, polymers, electrical materials, composite materials, fibers, nanostructured materials, nanocomposites, and biological and biomedical materials. The Journal of Materials Science is now firmly established as the leading source of primary communication for scientists investigating the structure and properties of all engineering materials.
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