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Dynamics of Nanometer SiO2 Particles and their Coalescence Characteristics

Published online by Cambridge University Press:  15 February 2011

Estela Blaisten-Barojas ,
Ling Liu  and
Michael Zachariah
Estela Blaisten-Barojas
Affiliation:
Institute for Computational Sciences and Informatics, George Mason University, Fairfax, VA 22030
Ling Liu
Affiliation:
Institute for Computational Sciences and Informatics, George Mason University, Fairfax, VA 22030
Michael Zachariah
Affiliation:
National Institute of Standards and Technology, Gaithersburg, MD 20899
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Abstract

Various mechanisms of glassy transformations involving computational annealing were investigated by Molecular Dynamics simulations. Large clusters of silicon dioxide ranging from sub to nanometer size regime were considered. Silica is both a prototype ceramics and glassy material. Silica particles are fabricated in flow and flame reactors to design novel granular materials which depend strongly on the heating and cooling processes. During these processes extensive thermally driven relaxation in growing clusters allow for configurational changes from a liquid-like cluster to a glassy cluster. Crystal-like structures were investigated as well. Cooling rates comparable to experimental rates were achieved in these simulations. We find that the glass transition temperature decreases with decreasing cluster size. Calculations were performed by implementing a massively parallel particle decomposition schema of Molecular Dynamics with an excellent speedup and a significant decrease of complexity.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 366: Symposium N – Dynamics in Small Confining Systems , 1994 , 173
Copyright
Copyright © Materials Research Society 1995

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References

1. Zachariah, M. R. and Semerjian, H. G., AIChE. J. 35, 2003 (1989).Google Scholar
2. Chung, S. L. and Katz, J. L., Combust. Flame 61, 271 (1985).Google Scholar
3. Gelbard, F. Tambour, F.Y., and Seinfeld, J. H., J. Colloid Inteface Sci. 76, 541 (1980).Google Scholar
4. Bauer, S. H. and Frurip, D. J., J. Phys. Chem. 81, 1015 (1977).Google Scholar
5. Dobbins, R. A. and Mulholland, G. W., Combust. Sci. Technol. 40, 175 (1985).Google Scholar
6. Blaisten-Barojas, E. and Zachariah, R. M., Phys. Rev. B 44, 4403 (1992).Google Scholar
7. Tsuneyuki, S., Tsukada, M., Aoki, H., and Matsui, Y., Phys. Rev. Lett 61, 869 (1988).Google Scholar
8. Rustand, J. R., Yuen, D. A., and Spera, F. J., Phys. Rev. A 42, 2081 (1990).Google Scholar
9. Tse, J. S., Klug, D. D., Page, Y. Le, Phys. Rev. Lett. 69, 3647 (1992).Google Scholar
10. Tsuneyuki, S., Aoki, H., and Tsukada, M., Phys. Rev. Lett. 64. 776 (1990).Google Scholar
11. Feuston, B. P. and Garofalini, S. H., J. Chem. Phys. 89, 5818 (1988).Google Scholar
12. Kramer, G. J. et al., Phys. Rev. B 43, 5068 (1991).Google Scholar
13. Valle, R. G. Della and Andersen, H. C., J. of Chem. Phys. 91, 2682 (1992).Google Scholar
14. Blaisten-Barojas, E. and Levesque, D., Phys. Rev. B 34, 3910 (1986).Google Scholar
15. Gay, J. G. and Berne, B. J., J. Colloid Interface Sci. 109, 90 (1986).Google Scholar
16. Konnert, J. H., and Karle, J., Acta Crystallogr. A 29, 702 (1973).Google Scholar
17. Grimley, D. I., Wright, A. C., and Sinclair, R. N., J. Non-Cryst. Solids 119, 49 (1990).Google Scholar