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Atomistic Simulation Study of Interfaces in Nanophase Silicon

Published online by Cambridge University Press:  25 February 2011

James A. Lupo  and
Michael J. Sabochick
James A. Lupo
Affiliation:
Air Force Institute of Technology, Department of Engineering Physics Wright-Patterson Air Force Base, OH 45433-6583
Michael J. Sabochick
Affiliation:
Air Force Institute of Technology, Department of Engineering Physics Wright-Patterson Air Force Base, OH 45433-6583
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Abstract

Nanophase silicon was investigated using atomistic simulation. The simulations employed a modified Stillinger-Weber potential appropriate for crystalline and amorphous silicon. Computer “samples” of nanophase material were formed by compressing together three grains of several hundred atoms each, using Fletcher-Powell minimization and external pressures of 0.5 to 13.5 GPa. Relative densities obtained in the samples ranged from 65% to 98% as compared to the perfect crystal. The nanophase materials maintained crystalline order up to the interfaces and no highly disordered interfaces were observed. Calculated bulk moduli exhibited a linear dependence with respect to density, with no significant dependence on structure. The calculated thermal expansion coefficients were up to twice as large as that in the perfect crystal and were structure dependent.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 159: Symposium C – Atomic Scale Structure of Interfaces , 1989 , 383
Copyright
Copyright © Materials Research Society 1990

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References

REFERENCES

1. Birringer, R., Gleiter, H., Klein, H.-P. and Marquardt, P., Phys. Lett. 102A, 365 (1984).Google Scholar
2. Suryanarayana, C. and Froes, F. H. to be published in the Proceedings of the Symposium on Physical Chemistry of Powder Metals Production and Processing, Oct. 16-18, 1989, St. Mary's, PA, Small, W. M. and Robertson, D. C. C. (eds).Google Scholar
3. Birringer, R., Herr, U. and Gleiter, H., Trans. Jpn. Inst. Met. Suppl. 27, 43 (1986).Google Scholar
4. Horvath, J., Birringer, R. and Gleiter, H., Sol. State Comm. 62, 319 (1987).Google Scholar
5. Rupp, J. and Birringer, R., Phys. Rev. B. 36, 7888 (1987).Google Scholar
6. Seigel, R. W. and Eastman, J. A., Mat. Res. Soc. Symp. Proc. 132, 3 (1989).Google Scholar
7. Epperson, J. E., Siegel, R. W., White, J. W., Klippert, T. E., Narayanasamy, A., Eastman, J. A. and Trouw, F., Mat. Res. Soc. Proc. 132, 15 (1989).Google Scholar
8. Eastman, J. A., Epperson, J. E., Hahn, H., Klippert, T. E., Narayanasamy, A., Ramasamy, S., Siegel, R. W., White, J. W. and Truow, F., Mat. Res. Soc. Proc. 132, 21 (1989).Google Scholar
9. Melendres, C. A., Narayanasamy, A., Maroni, V. A. and Siegel, R. W., J. Mat. Res. 4, 1246 (1980).Google Scholar
10. Eastman, J. A., Liao, Y. X., Narayanasamy, A. and Siegel, R. W., Mat. Res. Soc. Proc. 155, 255 (1989).Google Scholar
11. Melendres, C. A., Narayanasamy, A., Maroni, V. A. and Siegel, R. W., Mat. Res. Soc. Proc. 153, 21 (1989).Google Scholar
12. Zhu, X., Birringer, R., Herr, U. and Gleiter, H., Phys. Rev. B 35, 9085 (1987).Google Scholar
13. Thomas, G. J., Siegel, R. W. and Eastman, J. A., Mat. Res. Soc. Proc. 153, 13 (1989).Google Scholar
14. Sabochick, M. J. and Lupo, J. A., Proc. of Conf. on Diffusion in Metals and Alloys (DIMETA-88), Balantonfured, Hungary, Sept. 5-9, 1988.Google Scholar
15. Parrinello, M. and Rahman, A., Phys. Rev. Lett. 45, 1196 (1980).Google Scholar
16. Sabochick, M. J. and Yip, S., J. Phys. F: Met. Phys. 18, 1689 (1988).Google Scholar
17. Ding, K. and Andersen, H. C., Phys. Rev. B 34, 6987 (1986).Google Scholar
18. Stillinger, F. H. and Weber, T. A., Phys. Rev. B 31, 5262 (1985).Google Scholar
19. Schaefer, H. E., Wurschum, R., Birringer, R. and Gleiter, H., J. Less-Common Met. 140, 161 (1988).Google Scholar
20. Phillpot, S. R., Wolf, D. and Lutsko, J. F., Mat. Res. Soc. Proc. 153, 33 (1080).Google Scholar
21. Klam, H. J., Hahn, H. and Gleiter, H., Acta Metall. 35, 2101 (1987).Google Scholar