Point-defect recombination efficiency at grain boundaries in irradiated SiC
- Ente Nuove Tecnologie, Energia e Ambiente (ENEA), Unita Fusione, Centro Ricerche Frascati, via Enrico Fermi 45, 00044 Frascati (Italy)
- Ente Nuove Tecnologie, Energia e Ambiente (ENEA), Unita Materiali e Nuove Tecnologie, Centro Ricerche Casaccia, C. P. 2400, I-00100 Rome (Italy)
We studied the atomic-scale mechanisms of radiation damage recovery, by molecular dynamics simulations of irradiation cascades in a {beta}-SiC model system, containing one general (001) twist grain boundary in the direction approximately perpendicular to the cascade. The (001) grain boundary has a disordered atomic structure, representative of high-angle, high-energy boundaries in cubic silicon carbide. Compared to the perfect crystal model system, we find a relevant effect of grain boundaries on the annealing of cascade defects, both in terms of localization of defects, which are preferentially concentrated around the grain boundary, and of relative defect recovery efficiency. In general, C interstitials are the prevalent type of defect over the whole range of energies explored. A slight grain boundary expansion is observed, accompanied by a broadening of the central atomic planes.
- OSTI ID:
- 20788202
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 73, Issue 21; Other Information: DOI: 10.1103/PhysRevB.73.214113; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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