Accommodation, accumulation, and migration of defects in Ti3 SiC2 and Ti3 AlC2 MAX phases

Journal of the American Ceramic Society

Volumn 96, Issue 10, 2013, Pages 3196-3201

  Middleburgh, Simon C ^a   Lumpkin, Greg R ^a   Riley, Daniel ^a  

^a AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECT FORMATION; DEFECT MIGRATIONS; FORMATION ENERGIES; INTERSTITIAL ATOMS; INTERSTITIAL DEFECTS; INTERSTITIAL SPECIES; RECOMBINATION MECHANISMS; TRIANGULAR CONFIGURATION;

ATOMS; CHEMICAL BONDS; POINT DEFECTS; RADIATION DAMAGE; SILICON; SILICON CARBIDE;

CRYSTAL ATOMIC STRUCTURE;

EID: 84885574649     PISSN: 00027820     EISSN: 15512916     Source Type: Journal    
DOI: 10.1111/jace.12537     Document Type: Article

References (29)

1. S. C. Middleburgh, and, R. W. Grimes, " Defects and Transport Processes in Beryllium," Acta Mater., 59, 7095-103 (2011).
2. H. Trinkaus, " On the Modeling of the High-Temperature Embrittlement of Metals Containing Helium," J. Nucl. Mater., 118, 39-49 (1983).
3. 2," Acta Mater., 58, 4362-8 (2010).
4. 2," J. Nucl. Mater., 401, 149-53 (2010).
5. 2," J. Am. Ceram. Soc., 79, 1953-6 (1996).
6. 2 at Ambient and Elevated Temperatures," Acta Mater., 46, 937-45 (2001).
7. 2," J. Am. Ceram. Soc., 90, 2231-5 (2007).
8. D. Music, D. P. Riley, and, J. M. Schneider, " Energetics of Point Defects in TiC," J. Eur. Ceram. Soc., 29, 773-7 (2009).
9. N. Swaminathan, D. Morgan, and, I. Szlufarska, " Ab Initio Based Rate Theory Model of Radiation Induced Amorphization in β-SiC," J. Nucl. Mater., 414, 431-9 (2011).
10. M. Bertolus, F. Ribeiro, and, M. Defranceschi, " Mechanisms of Amorphization-Induced Swelling in Silicon Carbide: The Molecular Dynamics Answer," Eur. Phys. J. B, 60, 423-33 (2007).
11. 2 AlC With Al Vacancies," Scripta Mater., 58, 227-30 (2008).
12. 2 AlC Upon Oxygen Incorporation: A First-Principles Investigation," Phys. Rev. B, 81, 024111, 8pp (2010).
13. G. Kresse, and, J. Hafner, " Ab Initio Molecular Dynamics for Liquid Metals," Phys. Rev. B, 47, 558-61 (1993).
14. G. Kresse, and, D. Joubert, " From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method," Phys. Rev. B, 59, 1758-75 (1999).
15. J. P. Perdew, K. Burke, and, M. Ernzerhof, " Generalized Gradient Approximation Made Simple," Phys. Rev. Lett., 77, 3865-8 (1996).
16. M. R. Levy, K. J. W. Atkinson, O. H. Odili, and, R. W. Grimes, " Dielectric Relaxation of Lithium-Doped Zinc Fluoride," Phys. B, 365, 147-54 (2005).
17. S. C. Middleburgh, D. C. Parfitt, P. R. Blair, and, R. W. Grimes, " Atomic Scale Modeling of Point Defects in Zirconium Diboride," J. Am. Ceram. Soc., 94, 2225-9 (2011).
18. R. M. Barrer, " Migration in Crystal Lattices," Trans. Faraday Soc., 37, 590-9 (1941).
19. G. Henkelman, B. P. Uberuaga, and, H. Jõnsson, " A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths," J. Chem. Phys, 113, 9901-4 (2000).
20. H. Tahini, A. Chroneos, and, R. W. Grimes, " Diffusion of E Centers in Germanium Predicted Using GGA+U Approach," Applied Physics, 99, 072112, 3pp (2011).
21. J. B. Gibson, A. N. Goland, M. Milgram, and, G. H. Vineyard, " Dynamics of Radiation Damage," Phys. Rev., 120, 1229-53 (1960).
22. K. E. Sickafus, L. Minervini, R. W. Grimes, J. A. Valdez, M. Ishimaru, F. Li, K. J. McClellan, and, T. Hartmann, " Radiation Tolerance of Complex Ceramics," Science, 289, 748-51 (2000).
23. F. A. Kröger, and, H. J. Vink, " Relations Between the Concentrations of Imperfections in Crystalline Solids," Solid State Physics, 3, 307-435 (1956).
24. F. A. Ponce, C. G. Van de Walle, and, J. E. Northrup, " Atomic Arrangement at the AlN/SiC Interface," Phys. Rev. B, 53, 7473-8 (1996).
25. Q. Zhang, and, S. P. Lewis, " Weak Bonding of Carbon Atoms at Corner Sites in Titanium-Carbide Nanocrystals," Chem. Phys. Lett., 372, 836-41 (2003).
26. R. E. Voskoboinikov, G. R. Lumpkin, and, S. C. Middleburgh, " Preferential Formation of Al Self-Interstitial Defects in γ-TiAl Under Irradiation," Intermetallics, 32, 230-2 (2013).
27. 2 to High Energy Iodine Irradiation," Appl. Surf. Sci., 258, 6280-7 (2012).
28. J. C. Nappé, Ph. Grosseau, F. Audubert, B. Guilhot, M. Beauvy, M. Benabdesselam, and, I. Monnet, " Damages Induced by Heavy Ions in Titanium Silicon Carbide: Effects of Nuclear and Electronic Interactions at Room Temperature," J. Nucl. Mater., 385, 304-7 (2009).
29. J. C. Nappé, I. Monnet, Ph. Grosseau, F. Audubert, B. Guilhot, M. Beauvy, M. Benabdesselam, and, L. Thomé, " Structural Changes Induced by Heavy ion Iradiation in Titanium Silicon Carbide," J. Nucl. Mater., 409, 304-7 (2011).