Table of Contents Author Guidelines Submit a Manuscript
Journal of Nanomaterials
Volume 2017, Article ID 8476258, 6 pages
https://doi.org/10.1155/2017/8476258
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.

Linked References

  1. J. Ye, W. Zhang, H. Wang, Y. Wang, and J. Zhang, “Structure of calcium silicate hydrate Ca4Si6O14 (OH)4·2H2O simulated by the molecular dynamics,” Kuei Suan Jen Hsueh Pao/Journal of the Chinese Ceramic Society, vol. 38, no. 12, pp. 2346–2352, 2010. View at Google Scholar · View at Scopus
  2. S. A. Hamid, “The crystal structure of the 11 Å natural tobermorite Ca2.25[Si3O7.5(OH)1.5]1H2O,” Zeitschrift fur Kristallographie - New Crystal Structures, vol. 154, no. 3-4, pp. 189–198, 1981. View at Publisher · View at Google Scholar · View at Scopus
  3. S. J. Murray, V. J. Subramani, R. P. Selvam, and K. D. Hall, “Molecular dynamics to understand the mechanical behavior of cement paste,” Transportation Research Record, no. 2142, pp. 75–82, 2010. View at Publisher · View at Google Scholar · View at Scopus
  4. V. J. Subramani, S. Murray, and R. P. Selvamet, “Atomic Structure of Calcium Silicate Hydrates Using Molecular Mechanics,” Research Board 88th Annual Meeting, 2009. View at Google Scholar
  5. J. B. d'Espinose de la Caillerie and N. Lequeux, “Lecture on the structure of CSH,” in AFm and AFt phases, Physique, Chimie et Mécanique des Matériaux Cimentaire, ed Ecole ATILH-CNRS, 2008. View at Google Scholar
  6. A. J. Allen, J. J. Thomas, and H. M. Jennings, “Composition and density of nanoscale calcium-silicate-hydrate in cement,” Nature Materials, vol. 6, no. 4, pp. 311–316, 2007. View at Publisher · View at Google Scholar · View at Scopus
  7. R. J.-M. Pellenq, A. Kushima, R. Shahsavari et al., “A realistic molecular model of cement hydrates,” Proceedings of the National Acadamy of Sciences of the United States of America, vol. 106, no. 38, pp. 16102–16107, 2009. View at Publisher · View at Google Scholar · View at Scopus
  8. D. Hou, Y. Zhu, Y. Lu, and Z. Li, “Mechanical properties of calcium silicate hydrate (CSH) at nano-scale: A molecular dynamics study,” Materials Chemistry Physics, vol. 146, no. 3, pp. 503–511, 2004. View at Google Scholar
  9. D. Hou, H. Ma, Y. Zhu, and Z. Li, “Calcium silicate hydrate from dry to saturated state: Structure, dynamics and mechanical properties,” Acta Materialia, vol. 67, pp. 81–94, 2014. View at Publisher · View at Google Scholar · View at Scopus
  10. R. T. Cygan, J.-J. Liang, and A. G. Kalinichev, “Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field,” The Journal of Physical Chemistry B, vol. 108, no. 4, pp. 1255–1266, 2004. View at Publisher · View at Google Scholar · View at Scopus
  11. R. Shahsavari, R. J.-M. Pellenq, and F.-J. Ulm, “Empirical force fields for complex hydrated calcio-silicate layered materials,” Physical Chemistry Chemical Physics, vol. 13, no. 3, pp. 1002–1011, 2011. View at Publisher · View at Google Scholar · View at Scopus
  12. G. Constantinides and F. J. Ulm, “The effect of two types of C-S-H on the elasticity of cement-based materials: results from nanoindentation and micromechanical modeling,” Cement and Concrete Research, vol. 34, no. 1, pp. 67–80, 2004. View at Publisher · View at Google Scholar · View at Scopus
  13. J. Puibasset and R. J.-M. Pellenq, “Water adsorption on hydrophilic mesoporous and plane silica substrates: A grand canonical Monte Carlo simulation study,” The Journal of Chemical Physics, vol. 118, no. 12, pp. 5613–5622, 2003. View at Publisher · View at Google Scholar · View at Scopus
  14. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, “The missing term in effective pair potentials,” The Journal of Physical Chemistry C, vol. 91, no. 24, pp. 6269–6271, 1987. View at Publisher · View at Google Scholar · View at Scopus
  15. Q. Ji, R. J.-M. Pellenq, and K. J. Van Vliet, “Comparison of computational water models for simulation of calcium-silicate-hydrate,” Computational Materials Science, vol. 53, no. 1, pp. 234–240, 2012. View at Publisher · View at Google Scholar · View at Scopus
  16. S. Plimpton, “Fast parallel algorithms for short-range molecular dynamics,” Journal of Computational Physics, vol. 117, no. 1, pp. 1–19, 1995. View at Publisher · View at Google Scholar · View at Scopus
  17. S. J. Plimpton, R. Pollack, and M. Stevens, Proceedings of the Eighth SIAM Conference on Parallel Processing for Scientific Computing, Minneapolis, Minnesota, Minn, USA, 1997.