Hostname: page-component-77c89778f8-7drxs Total loading time: 0 Render date: 2024-07-16T11:10:51.971Z Has data issue: false hasContentIssue false
  • English
  • Français

Local Structure of MD Simulated Soda-Lime-Silicate Glass

Published online by Cambridge University Press:  10 February 2011

Xianglong Yuan  and
Alastair N. Cormack
Xianglong Yuan
Affiliation:
Center for Glass Research, NYS College of Ceramics at Alfred University, Alfred, NY 14802
Alastair N. Cormack
Affiliation:
Center for Glass Research, NYS College of Ceramics at Alfred University, Alfred, NY 14802
Get access

Abstract

Simulation of soda-lime-silicate (sis) glass has been performed using molecular dynamics (MD). The local structure of each component is analyzed extensively in terms of total radial distribution function and coordination number and found to be insensitive to the composition change. Because of its big size, Na+/Ca2+ shows a behavior rather like O2− instead of Si4+. It is evident that the CN and local structure of Na+ with O2− are similar to those in crystalline a-Na2Si2O5. Finally, the Na+/Ca2+ cluster phenomenon is discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 455: Symposium T – Glasses and Glass Formers–Current Issues , 1996 , 241
Copyright
Copyright © Materials Research Society 1997

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Greaves, G.N., Journal of Non-Crystalline Solids 71, p. 203 (1985).Google Scholar
2. Leadbetter, Alan J., Journal of Non- Crystalline Solids 179, p. 116 (1994).Google Scholar
3. Bruckner, Rolf, Chun, Hans-Ulrich and Goretzki, Hans, Glastechn. Ber. 51, p. 1 (1978).Google Scholar
4. Jen, J.S. and Kalinowski, M.R., J. Non-Cryst. Solids 38–39, p. 21 (1980).Google Scholar
5. Huang, Chenge and Cormack, A.N., J. Chem. Phys. 93, p. 8180 (1990).Google Scholar
6. Cormack, A. N. and Cao, Yuan, Molecular Engineering 6, p. 183 (1996).Google Scholar
7. Vessai, Behnam, Journal of Non-Crystalline Solids 177, p. 103 (1994).Google Scholar
8. Smith, W., Greaves, G. N. and Gillan, M. J., J. Chem. Phys. 103, p. 3091 (1995).Google Scholar
9. Vessai, B., Amini, M., Fincham, D. and Catlow, C. R. A., Philosophical Magazine B 60, p. 753 (1989).Google Scholar
10. Wolf, M. L., Walker, J. R. and Catlow, C. R. A., Solid State Ionics 13, p. 33 (1984).Google Scholar
11. Lewis, G. V. and Catlow, C. R. A., J. Phys. C: Solid State Phys. 18, p. 1149 (1985).Google Scholar
12. Hoover, W. G., Phys. Rev. A31, p. 1695 (1985).Google Scholar
13. Newell, R. G., Feuston, B. P. and Garofalini, S. H., J. Mater. Res. 4, p. 434 (1989).Google Scholar
14. Varshneya, Arun K. Fundamentals of Inorganic Glasses: Academic Press, Inc: San Diego, 1994.Google Scholar