The anorthite-diopside system: Structural and devitrification study. Part I: Structural characterization by molecular dynamic simulations

Journal of the American Ceramic Society

Volumn 88, Issue 3, 2005, Pages 714-718

  Corradi, Anna Bonamartini ^a   Bondioli, Federica ^a   Cannillo, Valeria ^a   Ferrari, Anna Maria ^a   Lancellotti, Isabella ^a   Montorsi, Monia ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CERAMIC MATERIALS; COMPOSITION; COMPUTER SIMULATION; CRYSTALS; MOLECULAR DYNAMICS; SILICATES;

ANORTHITE-DIOPSIDE SYSTEM; GLASS MATERIALS; INOSILICATES; TECTOSILICATES;

GLASS;

EID: 29844455615     PISSN: 00027820     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1551-2916.2005.00142.x     Document Type: Article

References (28)

1. 2 System: A Molecular Dynamic Study," Mater Eng., 14, 87-96 (2003).
2. C. Leonelli, T. Manfredini, M. Paganelli, P. Pozzi, and G. C. Pellacani, "Crystallisation of Some Anorthite-Diopside Glass Precursors," J. Mater. Sci., 26, 5041-6 (1991).
3. L. Barbieri, A. Bonamartini Corradi, I. Lancellotti, C. Leonelli, and M. Montorsi, "Experimental and Computational Study of Glasses Belonging to Diopside-Anorthite System," J. Non Cryst. Solids, 345-346, 724-9 (2004).
4. M. C. Gaskell, P. H. Eckersley, A. C. Barnes, and P. Chieux, "Structural Ordering in Calcium Silicate Glasses," Nature, 335, 525-7 (1988).
5. G. Gottardi, "I Minerali"(The Minerals). Bollati Boringhieri Eds, Torino, Italy, 1972.
6. A. N. Cormack and Y. Cao, "Molecular Dynamics Simulation of Silicate Glasses," Mol. Eng., 6, 183-227 (1996).
7. 2 Glass," J. Phys. Chem. B., 105, 919-27 (2001).
8. W. Smith and T. R. Forester, "The Dl-POLY_2 User Manual," Version 2. Darnesbury, UK, 12 Dec. 1999.
9. B. Vessal, M. Amini, and C. R. A. Catlow, "Computer Simulation of the Structure of Silica Glass," J. Non Cryst. Solids, 159, 184-6 (1993).
10. M. Montorsi, M. C. Menziani, C. Leonelli, G. C. Pellacani, and A. N. Cormack, "Molecular Dynamics Simulation of Alumina Addition in Sodium Silicate," Mol. Simulation, 24, 157-65 (2000).
11. M. C. Eckersley, P. H. Gaskell, A. C. Barnes, and P. Chieux, "The Environment of Ca in Silicate Glasses," J. Non Cryst. Solids, 106, 132-6 (1988).
12. C. Huang and A. N. Cormack, "Structural Differences and Phase Separation in Alkali Silicate Glasses," J. Chem. Phys., 95 [5] 3634-42 (1991).
13. M. Montorsi, M. C. Menziani, C. Leonelli, J. Du, and A. N. Cormack, "Molecular Dynamic Study of Zirconia Containing Glasses," Phys. Chem. Glasses, 43 [3] 145-60 (2002).
14. 2 Glasses," J. Phys. Chem. B, 107 [27] 6519-25 (2003).
15. Y. Cao and A. N. Cormack, "A Structural Model for the Interpretation of an Aromaly in Alkali Alumino-silicate Glasses at Al/Alkali = 0.2-0.4"; in Diffusion in Amorphous Materials, (Annotation copyright Book News, Inc. Portland, OR), Edited by H. Jain and D. Gupta. The Minerals, Metals & Material Society, 1994.
16. D. M. Zirl and S. H. Garofalini, "Structure of Sodium Aluminosilicate Glasses," J. Am. Ceram. Soc., 73 [10] 2848-56 (1990).
17. 3) Glass: A Molecular Dynamics Study," J. Chem. Phys., 96 [12] 9083-91 (1992).
18. 2,3 Edge by Parallel Energy-Loss Spectroscopy," Am. Mineral., 84, 946-64 (1999).
19. A. N. Cormack and J. Du, "Molecular Dynamics Simulations of Soda-Lime Silicate Glasses," J. Non Cryst. Solids, 293-295, 283-9 (2001).
20. 8 Glass: Low Frequency Raman Spectroscopy and Neutron Scattering," J. Non Cryst. Solids, in press.
21. J. A. Tossel and G. Saghi-Szabo, "Aluminosilicate and Borosilicate Single 4-Rings: Effect of Counterrions and Water on Structure, Stability, and Spectra," Geochim. Cosmochim. Acta, 6, 1171-9 (1997).
22. X. Yuan and A. N. Cormack, "Local Structure of MD-Modeled Vitreous Silica and Sodium Silicate Glasses," J. NonCryst. Solids, 283, 69-87 (2001).
23. B. Vessal, G. N. Greaves, P. T. Matren, A. V. Chadwick, R. Mole, and S. Houde-Walter, "Cation Microsegregation and Ionic Mobility in Mixed Alkali Glasses," Nature, 356, 504-6 (1992).
24. T. Taniguchi, M. Okuno, and T. Matsumoto, "X-Ray Diffraction and EXAFS Studies of Silicate Glasses Containing Mg, Ca and Ba Atoms," J. Non Cryst. Solids, 211, 56-63 (1997).
25. S. Kroeker and J. F. Stebbins, "Magnesium Coordination Environment in Glass and Minerals: New Insight from High-Field Magnesium-25 MAS NMR," Am. Mineral., 85, 1459-64 (2000).
26. P. H. Gaskell, M. C. Eckersley, A. C. Barnes, and P. Chieux, "Medium-Range Order in the Cation Distribution of Calcium Silicate Glass," Nature, 350, 675-7 (1991).
27. 2," J. Non Cryst. Solids, 105, 39-44 (1988).
28. 2 Glasses: New Prospects and Problems," J. Non Cryst. Solids, 53, 293-5 (2001).