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Structure and Dynamics of Network Glasses at Large Positive and Negative Pressures - a Molecular Dynamics Study

Published online by Cambridge University Press:  25 February 2011

Priya Vashishta  and
Rajiv K. Kalia
Priya Vashishta
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Department of Physics & Astronomy and Department of Computer Science Louisiana State University, Baton Rouge, LA 70803-4001
Rajiv K. Kalia
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Department of Physics & Astronomy and Department of Computer Science Louisiana State University, Baton Rouge, LA 70803-4001
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Abstract

Using the molecular dynamics (MD) method, the nature of crystalline fragments in SiSe2 glass (a-SiSe2) at normal pressure, structural transformation and the loss of intermediate range order in SiO2 glass at very large positive pressures, and the modification of SiO2 glass network at very large negative pressures have been investigated. Implementations of the MD algorithm on the Connection Machine and Intel iPSC/860 machine are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 293: Symposium U – Solid State Ionics III , 1992 , 225
Copyright
Copyright © Materials Research Society 1993

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References

1. Uemura, O. et al. , Phys. Status Solidi (a) 32 K91 (1975); O. Uemura et al., J. Non- Cryst. Solids 30 155 (1978).Google Scholar
2. Fuoss, F. H. et al. , Phys. Rev. Lett. 46, 1537 (1981); P. H. Fuoss and A. Fisher- Colbrie, Phys. Rev. B 38, 1875 (1988).Google Scholar
3. Moss, S. C. and Price, D. L., in Physics of Disordered Materials, edited by Adler, D., Fritzsche, H., and Ovshinsky, S. R. (Plenum, New York, 1985), p. 77.Google Scholar
4. Busse, L. E. and Nagel, S. R., Phys. Rev. Lett. 47, 1848 (1981); L. E. Busse, Phys. Rev. B 29, 3639 (1981).Google Scholar
5. Grimsditch, M., Phys. Rev. Lett. 52, 2379 (1984); Phys. Rev. B 34, 4372 (1986). A. Polian and M. Grimsditch, Phys.Rev. B 41, 6086 (1990).Google Scholar
6. McMillan, P., Piriou, B., and Couty, R., J. Chem. Phys. 81, 4234 (1984); B. Velde and R. Couty, J. Non-Cryst. Solids 94, 238 (1987).Google Scholar
7. Hemley, R. J., Mao, H. K., Bell, P. M., and Mysen, B.O., Phys. Rev. Lett. 57, 747 (1986).Google Scholar
8. Williams, Q. and Jeanloz, R., Science 239, 902 (1988).Google Scholar
9. Susman, S. et al. , Phys. Rev. B 43, 1194 (1991).Google Scholar
10. Meade, C., Hemley, R. J., and Mao, H. K., Phys. Rev. Lett. 69, 1387 (1992).Google Scholar
11. Woodcock, L. V., Angell, C. A., and Cheeseman, P., J. Chem. Phys. 65, 1565 (1976).Google Scholar
12. Murray, R. A. and Ching, W. Y., Phys. Rev. B 39, 1320 (1989).Google Scholar
13. Stixrude, L. and Bukowinski, M. S. T., Phys. Rev. B 44, 2523 (1991).Google Scholar
14. Tsuneyuki, S., Matsui, Y., Aoki, H., and Tsukada, M., Nature 339, 209 (1989).Google Scholar
15. Tsuchida, Y. and Yagi, T., Nature 340, 217 (1989).Google Scholar
16. Chelikowsky, J. R. et al. , Phys. Rev. Lett. 65, 3309 (1990); N. R. Keskar, et. al., Phys. Rev. B 44, 4081 (1991).Google Scholar
17. Tse, J. S. and Klug, D. D., Phys. Rev. Lett. 67, 3559 (1991).Google Scholar
18. Binggeli, N. and Chelikowsky, J. R., Nature 353, 344 (1991); Phys. Rev. Lett. 69, 2220 (1992).Google Scholar
19. McNeil, L. E. and Grimsditch, M., Phys. Rev. Lett. 68, 83 (1992).Google Scholar
20. Fricke, J., J. Non-Cryst. Solids 121, 188 (1990).Google Scholar
21. Drake, J. M. and Klafter, J., Phyics Today, May, p. 46 (1990).Google Scholar
22. Vashishta, P., Kalia, R. K., Rino, J. P., and Ebbsjb, I., Phys. Rev. B 41, 12197 (1990).Google Scholar
23. Antonio, G. A., Kalia, R. K. and Vashishta, P., J. Non-Cryst. Solids 106, 305 (1988).Google Scholar
24. Antonio, G. A., Kalia, R. K., Nakano, A., and Vashishta, P., Phys. Rev. B 45, 7455 (1992).Google Scholar
25. Nakano, A., Bi, L., Kalia, R. K., and Vashishta, P., to be published.Google Scholar
26. Rapaport, D. C., Comput. Phys. Commun. 62, 217 (1991).Google Scholar
27. Streett, W. B., Tildesley, D. J. and Saville, G., Mol. Phys. 35, 639 (1978).Google Scholar
28. Frenkel, D., in Simple Molecular Systems at High Density, Edited by Polian, A., Loubeyre, P. and Boccara, N. (Plenum, New York, 1989), p. 411.Google Scholar
29. Greenwell, D. L., Kalia, R. K., Patterson, J. C., and Vashishta, P., in Scientific Applications of the Connection Machine, Edited by Simon, H. D. (World Scientific, Singapore, 1989), p. 252; Int. J. High Speed Computing 1, 321 (1989).Google Scholar
30. Nakano, A., Kalia, R. K., Leeuw, S. W. de, Greenwell, D. L., and Vashishta, P., Proceedings of Intel Workshop on Technology Focus, Timberline Lodge, OR, April 5-7, 1992.Google Scholar
31. Kalia, R. K., Leeuw, S. W. de, Nakano, A., Greenwell, D. L., and Vashishta, P., SIAM J. Sci. Stat. Comput., submitted.Google Scholar
32. Nakano, A., Kalia, R. K., and Vashishta, P., SIAM J. Sci. Stat. Comput., submitted.Google Scholar
33. Kalia, R. K., Leeuw, S. W. de, Nakano, A., and Vashishta, P., SIAM J. Sci. Stat. Comput., in press.Google Scholar
34. Tenhover, M. et al. , Solid State Commun. 51, 455 (1984).Google Scholar
35. Tenhover, M., Hazel, M. A., and Grasselli, R. K., Phys. Rev. Lett. 51, 404 (1983).Google Scholar
36. Tenhover, M. et al. , Solid State Commun. 65, 1517 (1988).Google Scholar
37. Stucky, G. D. and MacDougall, J. E., Science 247, 669 (1990).Google Scholar
38. Susman, S., Volin, K. J., Montague, D. G., and Price, D. L., Phys. Rev. B 43, 11076 (1991).Google Scholar
39. Freltoft, T., Kjems, J. K., and Sinha, S. K., Phys. Rev. B 33, 269 (1986).Google Scholar
40. Vacher, R., Woignier, T., Pelous, J., and Courtens, E., Phys. Rev. B 37, 6500 (1986); R. Vacher, T. Woignier, J. Phalippou, and J. Pelous, J. Non-Cryst. Solids 106, 161 (1988).Google Scholar
41. Shaefer, D. W. and Keefer, K. D., Phys. Rev. Lett. 56, 2199 (1986).Google Scholar
42. Lours, T., Zarzycki, J., Craievich, A. F., and Aegerter, M. A., J. Non-Cryst. Solids 121, 216 (1990).Google Scholar
43. Kieffer, J. and Angell, C. A., J. Non-Cryst. Solids 106, 336 (1988).Google Scholar
44. Guinier, A. and Fournet, G., Small Angle Scattering of X-rays (Wiley, New York, 1955).Google Scholar