Pathway and energetics of xenon migration in uranium dioxide

Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 10, 2013, Pages

  Thompson, Alexander E ^a   Wolverton, C ^a  

^a Northwestern University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84875304885     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.87.104105     Document Type: Article

References (45)

1. J. A. Turnbull, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/0022-3115(71) 90044-4 38, 203 (1971).
2. W. Miekeley and F. Felix, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/0022-3115(72)90080-3 42, 297 (1972).
3. A. E. Thompson and C. Wolverton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.134111 84, 134111 (2011).
4. H. Matzke, Nucl. Appl. 2, 131 (1966).
5. D. R. Olander, Fundamental Aspects of Nuclear Reactor Fuel Elements (National Technical Information Service, US Department of Commerce, Springfield, VA, 1976).
6. A. Bondi, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100785a001 68, 441 (1964).
7. Y. Yun, H. Kim, H. Kim, and K. Park, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2008.04.013 378, 40 (2008).
8. K. Govers, S. E. Lemehov, and M. Verwerft, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2010.08.013 405, 252 (2010).
9. R. W. Grimes, in Fundamental Aspects of Inert Gases in Solids, edited by, S. E. Donnelly, and, J. H. Evans, (Springer, New York, 1990), p. 415.
10. F. Zhou and V. Ozolins, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.125127 80, 125127 (2009).
11. P. Tiwary, A. van de Walle, and N. Grønbech-Jensen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.174302 80, 174302 (2009).
12. P. Tiwary, A. van de Walle, B. Jeon, and N. Grønbech-Jensen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.094104 83, 094104 (2011).
13. B. E. Hanken, C. R. Stanek, N. Grønbech-Jensen, and M. Asta, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.085131 84, 085131 (2011).
14. M. Freyss, N. Vergnet, and T. Petit, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2006.02.048 352, 144 (2006). (Pubitemid 43884751)
15. T. Petit, in Fission Gas Behaviour in Water Reactor Fuels (OECD, Cadarache, France, 2002), p. 269.
16. Y. Yun, O. Eriksson, and P. M. Oppeneer, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2008.12.311 385, 510 (2009).
17. Y. Yun, O. Eriksson, and P. M. Oppeneer, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2008.10.036 385, 72 (2009).
18. D. A. Andersson, B. P. Uberuaga, P. V. Nerikar, C. Unal, and C. R. Stanek, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.054105 84, 054105 (2011).
19. X.-Y. Liu, B. P. Uberuaga, D. A. Andersson, C. R. Stanek, and K. E. Sickafus, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3579198 98, 151902 (2011).
20. B. Jeon, M. Asta, S. M. Valone, and N. Grønbech-Jensen, Nucl. Instrum. Methods Phys. Res., Sect. B NIMBEU 0168-583X 10.1016/j.nimb.2010.06.004 268, 2688 (2010).
21. R. W. Grimes and C. R. A. Catlow, Philos. Trans. R. Soc. London A PTRMAD 1364-503X 10.1098/rsta.1991.0062 335, 609 (1991).
22. K. Govers, S. Lemehov, M. Hou, and M. Verwerft, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2006.12.070 366, 161 (2007). (Pubitemid 46778920)
23. K. Govers, S. Lemehov, M. Hou, and M. Verwerft, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2008.01.023 376, 66 (2008).
24. T. Arima, S. Yamasaki, Y. Inagaki, and K. Idemitsu, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2005.04.003 400, 43 (2005). (Pubitemid 41165421)
25. N.-D. Morelon, D. Ghaleb, J.-M. Delaye, and L. Van Brutzel, Philos. Mag. PHMAA4 1478-6435 10.1080/1478643031000091454 83, 1533 (2003).
26. C. B. Basak, A. K. Sengupta, and H. S. Kamath, J. Alloys Compd. 0925-8388 10.1016/S0925-8388(03)00350-5 360, 210 (2003).
27. H. Y. Geng, Y. Chen, Y. Kaneta, and M. Kinoshita, J. Alloys Compd. 0925-8388 10.1016/j.jallcom.2007.03.030 457, 465 (2008). (Pubitemid 351601664)
28. A. Chartier, L. Van Brutzel, and M. Freyss, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.174111 81, 174111 (2010).
29. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.558 47, 558 (1993).
30. G. Kresse, Ph.D. Thesis, Technische Universität Wien, Vienna, Austria, 1993.
31. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
32. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
33. J. P. Perdew, in Electronic Structure of Solids, edited by, P. Ziesche, (Akademie, Berlin, 1991), p. 11.
34. B. Dorado, B. Amadon, M. Freyss, and M. Bertolus, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.235125 79, 235125 (2009).
35. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.1505 57, 1505 (1998).
36. B. Meredig, A. Thompson, H. A. Hansen, C. Wolverton, and A. van de Walle, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.195128 82, 195128 (2010).
37. H. Jónsson, G. Mills, and K. W. Jacobsen, in Classical and Quantum Dynamics in Condensed Phase Simulations: Proceedings of the International School of Physics, edited by, B. J. Berne, G. Ciccotti, and, D. F. Coker, (World Scientific Publishing, Singapore, 1998), pp. 385-404.
38. J. D. Gale and A. L. Rohl, Mol. Simul. MOSIEA 0892-7022 10.1080/0892702031000104887 29, 291 (2003). (Pubitemid 44115103)
39. A. Thompson and C. Wolverton (unpublished).
40. J. F. Ziegler, The Stopping and Range of Ions in Solids, 1st ed. (Pergamon, Oxford, UK, 1985).
41. R. A. Jackson and C. R. A. Catlow, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/0022-3115(85)90351-4 127, 161 (1985).
42. G. Henkelman and H. Jónsson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480097 111, 7010 (1999).
43. S. Plimpton, J. Comput. Phys. JCTPAH 0021-9991 10.1006/jcph.1995.1039 117, 1 (1995).
44. N. F. Mott and M. J. Littleton, Trans. Faraday Soc. TFSOA4 0014-7672 10.1039/tf9383400485 34, 485 (1938).
45. H. J. Matzke, Diffusion Processes in Nuclear Materials (North-Holland, Amsterdam, 1992).