Mechanism for transient migration of xenon in UO2

Applied Physics Letters

Volumn 98, Issue 15, 2011, Pages

  Liu, X Y ^a   Uberuaga, B P ^a   Andersson, D A ^a   Stanek, C R ^a   Sickafus, K E ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MODELING; CONSTRAINED MOLECULAR DYNAMICS; DENSITY FUNCTIONAL THEORY CALCULATIONS; FISSION GAS; INTERATOMIC POTENTIAL; MIGRATION BARRIERS; NONEQUILIBRIUM CONDITIONS; NUDGED ELASTIC BAND METHODS; OCTAHEDRAL INTERSTITIAL SITE; OXYGEN ATOM; SUB-LATTICES; TRANSIENT MIGRATIONS;

DENSITY FUNCTIONAL THEORY; FISSION PRODUCTS; MOLECULAR DYNAMICS; MOLECULAR OXYGEN; URANIUM;

XENON;

EID: 79954625169     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3579198     Document Type: Article

References (21)

1. Hj. Matzke, in Diffusion Processes in Nuclear Materials, edited by, R. P. Agarwala, (North-Holland, Amsterdam, 1992).
2. X. -Y. Liu, B. P. Uberuaga, and K. E. Sickafus, J. Phys.: Condens. Matter 0953-8984 21, 045403 (2009). 10.1088/0953-8984/21/4/045403
3. R. W. Grimes and C. R. A. Catlow, Philos. Trans. R. Soc. London, Ser. A 0962-8428 335, 609 (1991). 10.1098/rsta.1991.0062
4. P. V. Nerikar, X. -Y. Liu, B. P. Uberuaga, C. R. Stanek, S. R. Phillpot, and S. B. Sinnott, J. Phys.: Condens. Matter 0953-8984 21, 435602 (2009). 10.1088/0953-8984/21/43/435602
5. X. -Y. Liu, B. P. Uberuaga, P. V. Nerikar, C. R. Stanek, and K. E. Sickafus, Nucl. Instrum. Methods Phys. Res. B 0168-583X 268, 3014 (2010). 10.1016/j.nimb.2010.05.030
6. A. Chartier, L. Van Brutzel, and M. Freyss, Phys. Rev. B 0556-2805 81, 174111 (2010). 10.1103/PhysRevB.81.174111
7. Y. Yun, H. Kim, H. Kim, and K. Park, J. Nucl. Mater. 0022-3115 378, 40 (2008). 10.1016/j.jnucmat.2008.04.013
8. Y. Yun, O. Eriksson, P. M. Oppeneer, H. Kim, and K. Park, J. Nucl. Mater. 0022-3115 385, 364 (2009). 10.1016/j.jnucmat.2008.12.024
9. D. C. Parfitt and R. W. Grimes, J. Nucl. Mater. 0022-3115 392, 28 (2009). 10.1016/j.jnucmat.2009.03.046
10. X. -F. Tian, C. -S. Long, Z. -H. Zhu, and T. Gao, Chin. Phys. B 1674-1056 19, 057102 (2010). 10.1088/1674-1056/19/5/057102
11. C. Jiang, X. -Y. Liu, and K. E. Sickafus, Phys. Rev. B 0556-2805 83, 052103 (2011). 10.1103/PhysRevB.83.052103
12. M. R. Sørensen and A. F. Voter, J. Chem. Phys. 0021-9606 112, 9599 (2000). 10.1063/1.481576
13. G. Henkelman, B. P. Uberuaga, and H. Jónsson, J. Chem. Phys. 0021-9606 113, 9901 (2000). 10.1063/1.1329672 (Pubitemid 32076883)
14. G. Henkelman and H. Jónsson, J. Chem. Phys. 0021-9606 113, 9978 (2000). 10.1063/1.1323224 (Pubitemid 32076892)
15. B. Basak, A. K. Sengupta, and H. S. Kamath, J. Alloys Compd. 0925-8388 360, 210 (2003). 10.1016/S0925-8388(03)00350-5
16. K. Govers, S. Lemehov, M. Hou, and M. Verwerft, J. Nucl. Mater. 0022-3115 366, 161 (2007). 10.1016/j.jnucmat.2006.12.070 (Pubitemid 46778920)
17. H. Y. Geng, Y. Chen, Y. Kaneta, and M. Kinoshita, J. Alloys Compd. 0925-8388 457, 465 (2008). 10.1016/j.jallcom.2007.03.030 (Pubitemid 351601664)
18. G. Kresse and J. Hafner, Phys. Rev. B 0556-2805 47, 558 (1993). 10.1103/PhysRevB.47.558
19. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 0927-0256 6, 15 (1996). 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
20. W. Windl, M. M. Bunea, R. Stumpf, S. T. Dunham, and M. P. Masquelier, Phys. Rev. Lett. 0031-9007 83, 4345 (1999). 10.1103/PhysRevLett.83.4345
21. D. A. Andersson, B. P. Uberuaga, P. Nerikar, C. Unal, and C. R. Stanek (unpublished).