Stability and elastic properties of tobermorite, a model of cement hydrate at the nano-scale

Materials Science and Technology Conference and Exhibition, MS and T'07 - "Exploring Structure, Processing, and Applications Across Multiple Materials Systems"

Volumn 5, Issue , 2007, Pages 2885-2896

  Pellenq, R J M ^a   Gmira, A ^b   Van Damme, H ^c  

^a CNRS   (France)

^b NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

^c PSL RESEARCH UNIVERSITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADHESION; BOND STRENGTH (CHEMICAL); CEMENTS; ELASTICITY; HARDENING; HYDRATES; HYDRATION; MOLECULAR DYNAMICS; MOLECULES; NANOTECHNOLOGY; NUMERICAL METHODS; SILICATE MINERALS;

AB INITIO MOLECULAR DYNAMICS; ATOMISTIC-SCALE SIMULATIONS; CEMENT HYDRATES; ELASTIC PROPERTIES; ENERGY MINIMIZATION TECHNIQUES; FREE ENERGY MINIMIZATION; NANO SCALE; SILICATE HYDRATES; STABILITY PROPERTIES; TOBERMORITE;

CALCIUM SILICATE;

EID: 58349108507     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (42)

1. nd Edn., T. Telford Pub., London (1997).
2. I. G. Richardson, Cem. Concr. Res., 29 (1999) 1131-1147.
3. S. Gauffinet, E. Finot, A. Nonat, A. in "Hydration and Setting", A. Nonat, Ed., RILEM Publications S.A.R.L., Cachan (2000), 199-214.
4. S. Gauffinet, E. Finot, E. Lesniewska, A. Nonat, C.R. Acad. Sci. Paris, Earth & Planetary Sciences, 327 (1998) 231-236.
5. A.L. Barabassi, H. E. Stanley in "Fractal Concepts in Surface Growth", Cambridge University Press, Cambridge (1995), p 366.
6. H.M. Jenning, Cem. Concr. Res., 30 (2000), 101-116.
7. H. Van Damme in "Encyclopedia of Surface and Colloid Science", Marcel Dekker, Inc., New York, (2002) 1087-1103, and references therein.
8. T. C. Powers, J. Am. Ceram. Soc., 41, (1958) 1-6.
9. R. Maggion, S. Bonnamy, P. Levitz, and H. Van Damme, H., in "The Modeling of Microstructure and its Potential for Studying Transport Properties and Durability", H. Jennings, J. Kropp, and K. Scrivener editors, NATO ASI Series E: Applied Sciences 304, Kluwer Acad. Pub., Dordrecht (1996), 137-155.
10. X. Cong, R. J. Kirkpatrick, J. Adv. Cem. Bas. Mat., 3 (1996), 144-156.
11. X. Cong, R. J. Kirkpatrick, J. Am. Ceram. Soc., 79 (1996), 1585-1592.
12. W. Wieker, A. R. Grimmer, A. Winkler, Cem. Concr. Res., 12 (1982), 333-339.
13. S. Komarneni, D.M. Roy et al, Cem. Concr. Res. 17 (1987), 191-213.
14. P. Yu, R. J. Kirkpatrick, B. Poe, P. F. McMillan, X. Cong, J. Am. Ceram. Soc., 82 (1999), 742-748.
15. N. Lequeux, A. Moreau, S. Philippot, J. Am. Ceram. Soc., 8 (1999), 1299-1306.
16. M. F. Heddle, Mineral. Mag., 4 (1880), 119-123.
17. J. D. C. McConnell, Mineral. Mag., 30 (1954), 293-305.
18. A. Gmira, PhD Thesis, University of Orléans, France (2003).
19. T. Mitsuda and H. F. W. Taylor, Mineral. Mag., 42 (1978), 411-429.
20. S. A Hamid, Zeitsch. Kristall., 154 (1981), 189-198.
21. S. Merlino, E. Bonaccorsi and T. Armbruster, Amer. Mineral., 84 (1999), 1613-1621.
22. R.J.-M. Pellenq, A. Delville, and H. Van Damme, in "Characterization of Porous Solids IV", McEnaney, B., Mays et al ed., The Roy. Soc. Chem. Pub., Cambridge, 1997, 596-603.
23. R. J.-M. Pellenq, J.-M. Caillol and A. Delville, J. Phys. Chem., 101 (1997) 8584-8594.
24. A. Delville and R.J-.M. Pellenq, Mol. Sim., 24 (2000) 1-24.
25. R. Kjellander, S. Marcelja, and J. P. Quirk, J. Coll. Interf. Sci., 126 (1988) 194-211.
26. R. J.-M. Pellenq, H. van Damme, MRS Bulletin, 2004, 319-323.
27. C. Pisani, "Lecture in chemistry", Quantum mechanical ab-initio calculation of the properties of crystalline materials, Ed. Springer 177 (1996).
28. P. D'arco, M. Causa, C. Roetti, B. Silvi, Phys. Rev. B., 47 (1993) 3522-3529.
29. J. D. Gale, Phil. Mag. B, 73 (1996) 3-19.
30. J. D. Gale, J. Chem. Soc. Faraday Trans., 93 (1997) 629-637.
31. J. D. Gale, A. L. Rohl, Mol. Sim., 29 (2003) 291-341.
32. N. H. de Leeuw, J. W. Watson, S. C. Parker, J. Phys. Chem., 99 (1995) 17219-17225.
33. M. T. Dove, T. Cool, D. C. Palmer, A. Putnis, E. K. H. Salje and B. Winkler, Am. Mineral. 78 (1993) 486-492.
34. G. D. Price, S. C. Parker, In Proceedings of NATO ASI on the physical properties and thermodynamic behavior of minerals, Ed. EKH Salje, Series C, 225 (1988)591-618.
35. B. Winkler, M. T. Dove, M. Leslie, Am. Mineral., 76 (1991) 313-331.
36. D. R. Collins, C. R. A. Catlow, Am. Mineral., 77 (1992) 1172-1181.
37. C. I. Saint-Diaz, A. Laguna-Hernandez, M. T. Dove, Phys. Chem. Min., 28 (2001)130-141.
38. N. H. De Leeuw, S. C. Parker, Phys. Rev. B., 58 (1998) 13901-13908.
39. A-L. Auzende, R. J-M. Pellenq, B. Devouard, A. Baronnet, O. Grauby, Phys. Chem. Min., 33 (2006) 266-275.
40. J. Sanahuja, L. Dormieu, Ecole Nationale des Ponts et Chaussées, Paris, private communication
41. F. J. Ulm, MIT, private communication
42. H. M. Jennings, J. J. Thomas, J. S. Gevrenov, G. Constantinides, F.-J. Ulm, Cem. Conc. Res., 37 (2007) 329-336.