Uniaxial tension study of calcium silicate hydrate (C–S–H): structure, dynamics and mechanical properties

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• 作者：Dongshuai Hou ; Jinrui Zhang ; Zongjin Li ; Yu Zhu
• 关键词：Molecular simulation ; C–S–H ; Uniaxial tension test ; Ca/Si ratio
• 刊名：Materials and Structures
• 出版年：2015
• 出版时间：November 2015
• 年：2015
• 卷：48
• 期：11
• 页码：3811-3824
• 全文大小：3,359 KB
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• 作者单位：Dongshuai Hou (1)
  Jinrui Zhang (2)
  Zongjin Li (2)
  Yu Zhu (3)
  
  1. Qingdao Technological University (Cooperative Innovation Center of Engineering Construction and Safety in Shandong Blue Economic Zone), Qingdao, China
  2. Department of Civil and Environmental Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong
  3. Department of Civil Engineering, Henan Polytechnic University, Jiaozuo, Henan, China
  
• 刊物类别：Engineering
• 刊物主题：Structural Mechanics
  Theoretical and Applied Mechanics
  Mechanical Engineering
  Operating Procedures and Materials Treatment
  Civil Engineering
  Building Materials
  
• 出版者：Springer Netherlands
• ISSN：1871-6873

文摘

Calcium silicate hydrate (C–S–H) gels, the main binding phase of cement paste, determine the mechanical properties of cementitious materials. In order to obtain the cohesive force in C–S–H gel, molecular dynamics was carried out to simulate the uniaxial tension test on C–S–H model along x, y and z direction. Due to the structure and dynamic differences of the layered structure, C–S–H model demonstrates heterogeneous mechanical behavior. The calcium silicate layer, constructed by Ca–O and Si–O ionic-covalent bonds, has stronger cohesive force than that of interlayer H-bond network. In addition, composition influence on mechanical performance has been investigated by variation of the Ca/Si ratio. High calcium content, de-polymerizing the silicate chain structure in C–S–H gel, weakens uniaxial tension strength and elastic modulus in three directions. More water molecules penetration into the defective silicate region further reduces the mechanical properties of C–S–H gel at high Ca/Si ratio. Composition analysis at nano-scale can provide molecular insights on the cementitious materials design with different Ca/Si ratios.