Atomistic modeling of displacement cascades in La2Zr2O7 pyrochlore

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 17, 2003, Pages 1741021-17410213

  Chartier, Alain ^a   Meis, Constantin ^a   Crocombette, Jean Paul ^a   Corrales, L René ^b   Weber, William J ^b  

^a CEA SACLAY   (France)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATION; LANTHANUM; LANTHANUM ZIRCONATE PYROCHLORE; UNCLASSIFIED DRUG; URANIUM;

ARTICLE; ATOM; CALCULATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; ENERGY; KINETICS; MOLECULAR DYNAMICS; SIMULATION; TEMPERATURE DEPENDENCE;

EID: 0038236987     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (58)

1. M. A. Subramanian, G. Aravamudan, and C. V. Subbs Rao, Prog. Solid State Chem. 15, 55 (1983).
2. I. Hayakawa and H. Kamizono, J. Nucl. Mater. 202, 163 (1993).
3. G. R. Lumpkin, J. Nucl. Mater. 289, 136 (2001).
4. W. J. Weber and R. C. Ewing, Science (Washington, DC, U.S.) 289, 2051 (2001).
5. G. R. Lumpkin, K. L. Smith, and M. G. Blackford, J. Nucl. Mater. 289, 177 (2001).
6. S. X. Wang, B. D. Begg, L. M. Wang, R. C. Ewing, W. J. Weber, and K. V. Govidan Kutty, J. Mater. Res. 14, 4470 (1999).
7. K. E. Sickafus, L. Minervini, R. W. Grimes, J. A. Valdez, M. Ishimaru, F. Li, K. J. McClellan, and T. Hartmann, Science (Washington, DC, U.S.) 289, 748 (2000).
8. W. Lutze and R. C. Ewing, Radioactive Waste Forms for the Future (North-Holland, Amsterdam, 1988).
9. R. C. Ewing, W. J. Weber, and W. Lutze, Disposal of Weapons Plutonium (Kluwer Academic Publishers, The Netherlands, 1996).
10. P. E. Raison and R. G. Haire, Prog. Nucl. Energy 38, 796 (2001).
11. K. E. Sickafus, H. Matzke, K. Yasuda, P. Chodak, R. A. Verral, P. G. Lucuta, H. R. Andrews, A. Turos, R. Fromknecht, and N. P. Baker, Nucl. Instrum. Methods Phys. Res. B 141, 358 (1998).
12. K. E. Sickafus, J. Valdez, J. R. Williams, R. W. Grimes, and H. T. Hawkins, Nucl. Instrum. Methods Phys. Res. B 191, 549 (2002).
13. P. J. Wilde and C. R. A. Catlow, Solid State Ionics 112, 173 (1998).
14. P. J. Wilde and C. R. A. Catlow, Solid State Ionics 112, 185 (1998).
15. R. E. Williford, W. J. Weber, R. Devanathan, and J. D. Gale, J. Electroceram. 3, 409 (1999).
16. R. E. Williford, W. J. Weber, R. Devanathan, and J. D. Gale, J. Am. Ceram. Soc. 82, 3266 (1999).
17. L. Minervini, R. W. Grimes, and K. E. Sickafus, J. Am. Ceram. Soc. 83, 1873 (2000).
18. M. Pirzada, R. W. Grimes, L. Minervini, J. F. Maguire, and K. E. Sickafus, Solid State Ionics 140, 201 (2001).
19. R. E. Williford and W. J. Weber, J. Nucl. Mater. 299, 140 (2001).
20. A. Chartier, C. Meis, W. J. Weber, and L. R. Corrales, Phys. Rev. B 65, 134116 (2002).
21. J. Lian, X. T. Zu, K. V. G. Kutty, J. Chen, L. M. Wang, and R. C. Ewing, Phys. Rev. B 66, 054108 (2002).
22. J. D. Gale, J. Chem. Soc., Faraday Trans. 93, 629 (1997).
23. J.-P. Crocombette and D. Ghaleb, J. Nucl. Mater. 295, 167 (2001).
24. Y. Tabira and R. Withers, Philos. Mag. A 79, 1335 (1999).
25. N. K. Kulkami, S. Sampath, and V. Venugopal, J. Nucl. Mater. 281, 248 (2000).
26. H. Trinkaus and A. I. Ryazanov, Phys. Rev. Lett. 74, 5072 (1995).
27. C. Trautman, S. Klaumünzer, and H. Trinkaus, Phys. Rev. Lett. 85, 3648 (2000).
28. T. Kambara, K. Kageyama, Y. Kanai, T. M. Kojima, Y. Nanai, A. Yoneda, and Y. Yamakazi, Nucl. Instrum. Methods Phys. Res. B 193, 371 (2002).
29. C. R. S. da Silva and C. Scherer, Nucl. Instrum. Methods Phys. Res. B 18, 1149 (1985).
30. A. E. Volkov, Nucl. Instrum. Methods Phys. Res. B 193, 376 (2002).
31. C. R. A. Catlow, Proc. R. Soc. London, Ser. A 333, 533 (1977).
32. T. Omata, K. Okuda, S. Tsugimoto, and S. Otsuka-Matsuo-Yao, Solid State Ionics 104, 249 (1997).
33. H. Yokoi, Y. Arita, T. Matsui, H. Ohno, and K. Kobyashi, J. Nucl. Mater. 238, 163 (1996).
34. M. Bolech, E. H. P. Cordfunke, A. C. G. van Genderen, R. R. van der Lann, F. J. J. G. Janssen, and J. C. van Miltenburg, J. Phys. Chem. Solids 58, 433 (1997).
35. J. A. Labrincha, J. R. Frade, and F. M. B. Marques, J. Mater. Sci. 28, 3809 (1993).
36. R. Vassen, X. Cao, F. Tietz, D. Basu, and D. Stöver, J. Am. Ceram. Soc. 83, 2023 (2000).
37. M. P. Dijk, K. J. de Vries, and A. J. Burggraaf, Solid State Ionics 9&10, 913 (1983).
38. L. Landau and E. Lifchitz, Théorie de l'élasticité (MIR, Moscow, 1967).
39. V. I. Aleksandrov, V. V. Osiko, A. M. Prokhorov, and V. M. Tatarintsev, Current Topics in Materials Science (North-Holland, Amsterdam, 1978), pp. 421-480.
40. P. K. Schelling, S. R. Phillpot, and P. Keblinski, Phys. Rev. B 65, 144306 (2002).
41. G. Suresh, G. Seenivasan, M. V. Krishnaiah, and P. Srirama Murti, J. Nucl. Mater. 249, 259 (1997).
42. N. Mott and M. Littleton, Trans. Faraday Soc. 34, 485 (1938).
43. formal.
44. H. Takamura and H. L. Tuller, Solid State Ionics 134, 67 (2000).
45. A. Banarjee, N. Adams, J. Simons, and R. Shepard, J. Phys. Chem. 89, 52 (1985).
46. M. Kilo, G. Borchardt, B. Lesage, O. Kaïtasov, S. Weber, and S. Scherrer, J. Eur. Ceram. Soc. 20, 2069 (2000).
47. H. O. Kitchner, L. P. Kubin, and V. Pontikis, Computer Simulation in Materials Science, Vol. 308 of NATO Advanced Studies Institute, Series E (Plenum, New York, 1995).
48. R. D. Levine and R. B. Bernstein, Molecular Reaction Dynamics (Oxford University Press, New York, 1974).
49. W. Windl, T. J. Lenosky, J. D. Kress, and A. F. Voter, Nucl. Instrum. Methods Phys. Res. B 141, 61 (1996).
50. R. E. Williford, R. Devanathan, and W. J. Weber, Nucl. Instrum. Methods Phys. Res. B 141, 94 (1998).
51. M. W. Thompson, Defects and Radiation Damage in Metals (Cambridge University Press, Cambridge, 1969).
52. J. F. Ziegler, J. P. Biersack, and U. Littmark, The Stopping Range of Ions in Solids (Pergamon, New York, 1985).
53. T. Karakasidis and P. J. D. Lindan, J. Phys.: Condens. Matter 6, 2965 (1994).
54. L. Verlet, Phys. Rev. 159, 98 (1967).
55. A. I. Ryazanov, V. V. Dremov, and M. Kiritani, Radiat. Eff. Defects Solids 157, 209 (2002).
56. C. Schäfer, H. M. Urbassek, L. V. Zhigilei, and B. J. Garrisson, Comput. Mater. Sci. 24, 421 (2002).
57. C. P. Flynn, Point Defects and Diffusion (Clarendon, Oxford, 1972).
58. R. Volgelsang and C. Hoheisel, Phys. Chem. Liq. 16, 189 (1987).