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Molecular dynamics studies of Radiation Effects in Silicon Carbide

  • T. Diaz de la Rubia (a1), M.-J. Caturla (a1) and M. Tobin (a1)


We discuss results of molecular dynamics computer simulation studies of 3 keV and 5 keV displacement cascades in β-SiC, and compare them to results of 5 keV cascades in pure silicon. The SiC simulations are performed with the Tersoff potential. For silicon we use the Stillinger-Weber potential. Simulations were carried out for Si recoils in 3 dimensional cubic computational cells with periodic boundary conditions and up to 175,616 atoms. The cascade lifetime in SiC is found to be extremely short. This, combined with the high melting temperature of SiC, precludes direct lattice amorphization during the cascade. Although large disordered regions result, these retain their basic crystalline structure. These results are in contrast with observations in pure silicon where direct-impact amorphization from the cascade is seen to take place. The SiC results also show anisotropy in the number of Si and C recoils as well as in the number of replacements in each sublattice. Details of the damage configurations obtained will be discussed.



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[1] Hopkins, G.R. and Chin, J., J. Nucl. Mater. 141–143 (1986) 148.
[2] Najmabadi, F. and Conn, R.W., Fusion Technology 21 (1992) 1721.
[3] Crandall, D.H., Fusion Technology 21 (1992) 1451.
[4] Sanz, J., Perlado, J.M., Perez, A.S., and Guerra, D., J. Nucl. Mater. 191–194 (1992) 1450.
[5] Jones, R.H. and Lucas, G.E. (eds.), Proc. Office of Fusion Energy/DOE Workshop on Ceramic Matrix Composites for Structural Applications in Fusion Reactors, Santa Barbara, CA 1990. PNL-SA-17843, CONF- 9005225.
[6] Jones, R.H., Henager, C.H., and Hollenberg, G.W., J. Nucl. Mater. 191–194 (1992) 75.
[7] Dienst, W., J. Nucl. Mater. 191–194 (1992) 555.
[8] Snead, L.L., Zinkle, S. J., and Steiner, D., 191-194 (1992) 560.
[9] Price, R.J., J. Nucl. Mater. 48 (1973) 47.
[10] Blackstone, R. and Voice, E.H., J. Nucl. Mater. 39 (1971) 319.
[11] Snead, L.L., Zinkle, S.J., and Steiner, D., J. Nucl. Mater. 191–194 (1992) 560.
[12] Moir, R.W. et al. HYLIFE II Progress Report, UCID-21816, University of California, Lawrence Livermore National Laboratory, December 1991.
[13] Norgett, M.J., Robinson, M.T., and Torrens, I.M., Nucl. Eng. Design 33 (1975) 50.
[14] See e.g. Allen, M.P. and Tildesley, D.J., Computer Simulation of Liquids (Clarendon Press, Oxford, 1987).
[15] Huang, H., Ghoniem, N., Wong, J., and Baskes, M., Submitted to Physical Review B, 1994. H. Huang, Ph.D. Thesis, Department of Nuclear Engineering, UCLA, 1995.
[16] Baskes, M. I., Phys. Rev. B 46, 2727 (1992).
[17] Tersoff, J., Phys. Rev. B 39 (1989) 5566.
[18] Pearson, E. et al. , J. Cryst. Growth 70 (1984) 33.
[19] Wang, C., Bernholc, J., and Davis, R., Phys. Rev. B 38, 12752 (1988).
[20] Wong, J. et al. , J. Nucl. Mater. 212–215, 143 (1994).
[21] Stillinger, F. H. and Weber, T.A., Phys. Rev. B 31 (1985) 5262.
[22] PVM3 Users Guide and Reference Manual. ORNL/TM-12187, May 1993.
[23] Rubia, T. Diaz de la and Gilmer, G.H., Physical Review Letters, in press.
[24] Weber, W.J., Private communication


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