Reactive Molecular Dynamic Simulation of Graphene Oxide Enhanced Calcium Silicate Aluminate Hydrate

被引：0

作者：

Qiao G. ^{[1
]}

Wang P. ^{[1
]}

Hou D. ^{[1
]}

Jin Z. ^{[1
]}

Li S. ^{[1
]}

机构：

[1] Department of Civil Engineering, Qingdao University of Technology, Shandong, Qingdao

来源：

Kuei Suan Jen Hsueh Pao/Journal of the Chinese Ceramic Society | 2023年 / 51卷 / 05期

关键词：

cement; graphene oxide; reactive molecular dynamics; supplementary cementitious materials;

D O I：

10.14062/j.issn.0454-5648.20220637

中图分类号：

学科分类号：

摘要：

Cement-supplementary cementitious materials (SCM)/graphene oxide (GO) combine a lower carbon footprint with ductility enhancement. Aluminum phase released during the SCM hydration occurs in various forms in C–A–S–H/GO. The effects of bridging Al(Q2b) and interlayer Alinter on the mechanical properties of C–A–S–H/GO were investigated based on the reactive molecular dynamics. It is indicated that Alinter with less than Al(Q2b) redistributes the stress during the fracture of the system, activating load sharing between the layers, and thus triggering a “recovery-reinforcement” mechanism to multiply the mechanical properties. The “recovery-reinforcement” can be explained via analyzing Al's contribution to the reorganization of the interfacial bonding network and the chemical bonding evolution during fracture. The results show that the targeted regulation of Al chemical environment in cement-SCM/GO preparation is a key issue to break the ductility bottleneck. © 2023 Chinese Ceramic Society. All rights reserved.

引用

页码：1154 / 1164

页数：10

共 28 条

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