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, Journal of the Chinese Ceramic Society, vol.38, issue.12, pp.2346-2352, 2010.

S. A. Hamid, The crystal structure of the 11Å11?11Å natural tobermorite Ca2, Zeitschrift fur Kristallographie -New Crystal Structures, pp.25-28, 1981.

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: Journal of the Transportation Research Board, vol.14, issue.8, pp.75-82, 2010.
DOI : 10.3141/2142-11

V. J. Subramani, S. Murray, and R. P. Selvamet, Atomic Structure of Calcium Silicate Hydrates Using Molecular Mechanics, Research Board 88th Annual Meeting, 2009.

J. B. Espinose-de-la-caillerie and N. Lequeux, Lecture on the structure of CSH, AFm and AFt phases, 2008.

A. J. Allen, J. J. Thomas, and H. M. Jennings, Composition and density of nanoscale calcium???silicate???hydrate in cement, Nature Materials, vol.705, issue.3, pp.311-316, 2007.
DOI : 10.1617/14344

R. J. Pellenq, A. Kushima, and R. Shahsavari, A realistic molecular model of cement hydrates, Proceedings of the National Acadamy of Sciences of the United States of America, pp.16102-16107, 2009.
DOI : 10.12693/APhysPolA.100.529

URL : https://hal.archives-ouvertes.fr/hal-00447710

D. Hou, Y. Zhu, Y. Lu, and Z. Li, Mechanical properties of calcium silicate hydrate (C???S???H) at nano-scale: A molecular dynamics study, Materials Chemistry and Physics, vol.146, issue.3, pp.503-511, 2004.
DOI : 10.1016/j.matchemphys.2014.04.001

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.
DOI : 10.1016/j.actamat.2013.12.016

R. T. Cygan, 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, issue.4, pp.1255-1266, 2004.
DOI : 10.1021/jp0363287

R. Shahsavari, R. J. Pellenq, and F. Ulm, Empirical force fields for complex hydrated calcio-silicate layered materials, Phys. Chem. Chem. Phys., vol.112, issue.3, pp.1002-1011, 2011.
DOI : 10.1021/jp076022q

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, issue.1, pp.67-80, 2004.
DOI : 10.1016/S0008-8846(03)00230-8

J. Puibasset, R. J. , and -. Pellenq, Water adsorption on hydrophilic mesoporous and plane silica substrates: A grand canonical Monte Carlo simulation study, The Journal of Chemical Physics, vol.2, issue.12, pp.5613-5622, 2003.
DOI : 10.1021/jp980946j

H. J. Berendsen, J. R. Grigera, and T. P. Straatsma, The missing term in effective pair potentials, The Journal of Physical Chemistry, vol.91, issue.24, pp.6269-6271, 1987.
DOI : 10.1021/j100308a038

Q. Ji, R. J. Pellenq, K. J. Van, and . Vliet, Comparison of computational water models for simulation of calcium???silicate???hydrate, Computational Materials Science, vol.53, issue.1, pp.234-240, 2012.
DOI : 10.1016/j.commatsci.2011.08.024

S. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, Journal of Computational Physics, vol.117, issue.1, pp.1-19, 1995.
DOI : 10.1006/jcph.1995.1039

URL : http://www.cs.sandia.gov/~sjplimp/papers/jcompphys95.ps.gz

S. J. Plimpton, R. Pollack, and M. Stevens, Submit your manuscripts at https://www.hindawi, Proceedings of the Eighth SIAM Conference on Parallel Processing for Scientific Computing, 1997.