doi: 10.4304/jsw.6.11.2184-2188
Molecular Dynamics Simulation on Structure and Characteristics of Cement Hydration Products
- 1 School of Economics and Management, Huangshi Institute of Technology, Huangshi, China
- 2 School of Mathematics and Physics, Huangshi Institute of Technology, Huangshi, China
Abstract
Structure and characteristics of cement hydration products were studied by means of molecular dynamics simulation. Stable structure of cement hydration products was obtained by using energy minimization theory, and layered structure which water filling in was in good agreement with the literature. Through simulation and calculation of the stability system, X-ray Diffraction (XRD) diagram, radial distribution function (RDF), the interatomic distances and coordination number were obtained. The results show that, the majority of cement hydration products are amorphous CSH gel. Molecular dynamics simulation provides new means for further study on the structure and characteristics of cement hydration products.
Keywords
- cement
- hydration
- products;
- molecular
- dyn
How to Cite
Wei Dai and Peng Hu, "Molecular Dynamics Simulation on Structure and Characteristics of Cement Hydration Products," Journal of Software, vol. 6, no. 11, pp. 2184-2188, 2011. https://doi.org/ 10.4304/jsw.6.11.2184-2188
Copyright & License
Copyright © 2011 by the authors. 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 (CC BY 4.0).