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Journal of Nanomaterials
Volume 2017, Article ID 8476258, 6 pages
Research Article

Temperature Effects on Tensile and Compressive Mechanical Behaviors of C-S-H Structure via Atomic Simulation

1Shanxi Key Lab. of Material Strength & Structural Impact, Taiyuan University of Technology, Taiyuan 030024, China
2College of Mechanics, Taiyuan University of Technology, Taiyuan 030024, China
3LGCGM, Institut National des Sciences Appliquées de Rennes, 35708 Rennes, France
4Institute of Applied Mathematics, Taiyuan University of Technology, Taiyuan 030024, China

Correspondence should be addressed to Hao Xin; nc.ude.tuyt@oahnix and Zhihua Wang; nc.ude.tuyt@hzgnaw

Received 27 July 2017; Accepted 5 November 2017; Published 29 November 2017

Academic Editor: Ajayan Vinu

Copyright © 2017 Hao Xin et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


An atomic scale model of amorphous calcium silicate hydrate (C-S-H) with Ca/Si ratio of 1.67 is constructed. Effects of temperature on mechanical properties of C-S-H structure under tensile and compressive loading in the layered direction are investigated via molecular dynamics simulations. Results from present simulations show that (1) the tensile strength and Young’s modulus of C-S-H structure significantly decrease with the increase of the temperature; (2) the water layer plays an important role in the mechanical properties of C-S-H structure; (3) the compressive strength is stronger than tensile strength, which corresponds with the characteristic of cement paste.