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On-line Access: 2024-02-01
Received: 2023-09-19
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Zhicheng GENG, Shengwen TANG, Yang WANG, Hubao A, Zhen HE, Kai WU, Lei WANG. Stress relaxation properties of calcium silicate hydrate: a molecular dynamics study[J]. Journal of Zhejiang University Science A,in press.Frontiers of Information Technology & Electronic Engineering,in press.https://doi.org/10.1631/jzus.A2300476 @article{title="Stress relaxation properties of calcium silicate hydrate: a molecular dynamics study", %0 Journal Article TY - JOUR
水化硅酸钙应力松弛特性的分子动力学研究机构:1武汉大学,水资源工程与调度全国重点实验室,中国武汉,430072;2同济大学,先进土木工程材料教育部重点实验室,中国上海,200092;3西安建筑科技大学,材料科学与工程学院,中国西安,710055 目的:水化硅酸钙(C-S-H)是波特兰水泥的主要水化产物,是影响水泥基材料粘弹性机制的主要成分之一。然而,人们还未能在原子层面上完全理解水泥基材料在外加变形作用下随时间变化的粘弹性响应。本文旨在通过建立不同钙硅比的C-S-H模型,以分子动力学模拟的方式系统研究不同因素对水化硅酸钙应力松弛性能的影响。 创新点:1.基于分子动力学模拟,获得C-S-H的应力松弛特性;2.研究应变状态、钙硅比和内部水含量对C-S-H应力松弛的影响,揭示其在应力松弛过程中所涉及的内部结构及能量变化。 方法:1.通过各原子基团的均方位移在应力松弛过程中考虑C-S-H层间区域的粘度变化;2.基于时间相关函数,在不同应变状态、钙硅比以及温度的条件下研究C-S-H层间区域涉及到的化学键断裂与重组;3.阐明氢键网络和C-S-H形态对不同含水量下C-S-H应力松弛特性演变的影响。 结论:1.在不同的初始变形条件下,C-S-H应力松弛响应均会发生,并显示出非均质特征;2.钙硅比的增大以及温度的提高会导致水分子、羟基和层间钙原子的运动加快,从而引起C-S-H层间区域的粘度降低,进而导致C-S-H的初始应力及残余应力降低;3.由于水分子会影响C-S-H的形貌以及层间氢键网络,所以C-S-H在不同水含量时展现出不同的应力松弛特性。 关键词组: Darkslateblue:Affiliate; Royal Blue:Author; Turquoise:Article
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