Classical molecular dynamics investigation of microstructure evolution and grain boundary diffusion in nano-polycrystalline UO2

Journal of Nuclear Materials

Volumn 438, Issue 1-3, 2013, Pages 134-143

  Govers, K ^a   Verwerft, M ^a  

^a BELGIAN NUCLEAR RESEARCH CENTRE   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN'S CONSTANT; CLASSICAL MOLECULAR DYNAMICS; EMPIRICAL POTENTIALS; ENHANCED DIFFUSION; GRAIN-BOUNDARY DIFFUSION; HIGH-BURNUP STRUCTURE; IRRADIATION DAMAGE; MICRO-STRUCTURE EVOLUTIONS;

FISSION PRODUCTS; GRAIN BOUNDARIES; LIGHT WATER REACTORS; MICROSTRUCTURE; MOLECULAR DYNAMICS; NUCLEAR FUELS; POLYCRYSTALLINE MATERIALS;

DIFFUSION;

EID: 84876125549     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2013.03.024     Document Type: Article

References (66)

1. D. Baron, M. Kinoshita, P. Thevenin, and R. Largenton Nucl. Eng. Technol. 41 2 2009 199
2. J. Spino, D. Baron, M. Coquerelle, and A. Stalios J. Nucl. Mater. 256 1998 189
3. J. Spino, A. Stalios, H. Santa Cruz, and D. Baron J. Nucl. Mater. 354 2006 66
4. V.V. Rondinella, and T. Wiss Mater. Today 13 12 2010 24
5. A. Romano, M.I. Horvath, and R. Restani J. Nucl. Mater. 361 2007 62
6. C.R.A. Catlow Proc. R. Soc. Lond. A. 364 1978 473
7. R.A. Jackson, and C.R.A. Catlow J. Nucl. Mater. 127 1985 161
8. R.A. Jackson, and C.R.A. Catlow J. Nucl. Mater. 127 1985 167
9. C. Catlow, and R. Grimes J. Nucl. Mater. 165 1989 313
10. R.G.J. Ball, and R.W. Grimes J. Chem. Soc. Faraday Trans. 86 1990 1257
11. R. Ball, and R. Grimes J. Nucl. Mater. 188 1992 216
12. S. Nicoll, H. Matzke, and C.R.A. Catlow J. Nucl. Mater. 226 1995 51
13. T. Petit, G. Jomard, C. Lemaignan, B. Bigot, and A. Pasturel J. Nucl. Mater. 275 1999 119
14. J.-P. Crocombette J. Nucl. Mater. 305 2002 29
15. T. Petit, M. Freyss, P. Garcia, P. Martin, M. Ripert, J. Crocombette, and F. Jollet J. Nucl. Mater. 320 2003 133
16. M. Freyss, N. Vergnet, and T. Petit J. Nucl. Mater. 352 2006 144
17. Y. Yun, H. Kim, H. Kim, and K. Park J. Nucl. Mater. 378 2008 40
18. Y. Yun, O. Eriksson, and P.M. Oppeneer J. Nucl. Mater. 385 2009 72
19. J. Yu, R. Devanathan, and W. Weber J. Phys. Condens. Matter 21 2009 435401
20. P. Nerikar, X.-Y. Liu, B. Uberuaga, C. Stanek, S. Phillpot, and S. Sinnott J. Phys. Condens. Matter 21 2009 435602
21. X.-Y. Liu, B. Uberuaga, D. Andersson, C. Stanek, and K. Sickafus Appl. Phys. Lett. 98 2011 151902
22. G. Brillant, F. Gupta, and A. Pasturel J. Nucl. Mater. 412 2011 170
23. D. Andersson, B. Uberuaga, P. Nerikar, C. Unal, and C. Stanek Phys. Rev. B 84 2011 054105
24. H.Y. Geng, Y. Chen, Y. Kaneta, and M. Kinoshita J. All. Comp. 457 2008 465
25. A. Chartier, L. Van Brutzel, and M. Freyss Phys. Rev. B 81 2010 174111
26. T. Xio-Feng, L. Chong-Sheng, Z. Zheng-He, and G. Tao Chin. Phys. B 19 2010 057102
27. 2 grain, in: Water Reactor Fuel Performance Meeting, Chengdu, China, Sept. 11-14, 2011, Paper No. T2-026.
28. S. Murphy, A. Chartier, L. Van Brutzel, and J.-P. Crocombette Phys. Rev. B 85 2012 144102
29. D. Parfitt, and R.W. Grimes J. Nucl. Mater. 381 2008 216
30. D.C. Parfitt, and R.W. Grimes J. Nucl. Mater. 392 2009 28 34
31. D. Schwen, M. Huang, P. Bellon, and R. Averback J. Nucl. Mater 392 2009 35
32. M. Huang, D. Schwen, and R.S. Averback J. Nucl. Mater. 399 2010 175
33. K. Govers, C. Bishop, D. Parfitt, S. Lemehov, M. Verwerft, and R. Grimes J. Nucl. Mater. 420 2012 282
34. L. Van Brutzel, and E. Vincent-Aublant J. Nucl. Mater. 378 2008 522
35. P. Nerikar, K. Rudman, T. Desai, D. Byler, C. Unal, K. McClellan, S. Phillpot, S. Sinnott, P. Peralta, B. Uberuaga, and C. Stanek J. Am. Ceram. Soc. 94 2011 1893
36. T. Watanabe, S.B. Sinnott, R.W. Grimes, P.K. Schelling, and S.R. Phillpot J. Nucl. Mater 375 2008 388
37. E. Vincent-Aublant, J.-M. Delaye, and L. Van Brutzel J. Nucl. Mater. 392 2009 114
38. T. Arima, K. Yoshida, K. Idemitsu, Y. Inagaki, and I. Sato Mat. Sc. Engin. 9 2010 012003
39. T. Desai, P. Millett, and D. Wolf Acta Mater. 56 2008 4489
40. A.Y. Kupryazhkin, A.N. Zhiganov, D.V. Risovany, K.A. Nekrassov, V.D. Risovany, and V.N. Golovanov J. Nucl. Mater. 372 2008 233
41. S. Potashnikov, A. Boyarchenkov, K. Nekrasov, and A. Kupryazhkin J. Nucl. Mater. Accepted manuscript 2012 http://dx.doi.org/10.1016/j.jnucmat.2012.08.033
42. A. Boyarchenkov, S. Potashnikov, K. Nekrasov, and A. Kupryazhkin J. Nucl. Mater. 421 2012 1
43. E. Moore, L. Corrales, T. Desai, and R. Devanathan J. Nucl. Mater. 419 2011 140
44. K. Govers, S. Lemehov, and M. Verwerft Defect and Diffusion Forum 323-325 2012 215
45. G. Voronoi J.fnr die Reine und Angewandte Mathematik 133 1908 97
46. K. Govers, S.E. Lemehov, M. Hou, and M. Verwerft J. Nucl. Mater. 366 2007 161
47. K. Govers, S.E. Lemehov, M. Hou, and M. Verwerft J. Nucl. Mater. 378 2008 66
48. N.D. Morelon, D. Ghaleb, J.M. Delhaye, and L. Van Brutzel Phil. Mag. 83 2003 1533
49. C.B. Basak, A.K. Sengupta, and H.S. Kamath J. Alloys. Comp. 360 2003 210
50. K. Govers, S.E. Lemehov, and M. Verwerft J. Nucl. Mater. 405 2010 252
51. K. Refson, Moldy User's Manual, Department of Earth Sciences, Oxford, < http://www.earth.ox.ac.uk/keithr/moldy.html >.
52. K. Refson Comp. Phys. Comm. 126 2000 310
53. W. Humphrey, A. Dalke, and K. Schulten J. Molec. Graphics 14.1 1996 33
54. K. Govers, S.E. Lemehov, M. Hou, and M. Verwerft J. Nucl. Mater. 395 2009 131
55. J.K. Fink J. Nucl. Mater. 279 2000 1
56. P.J.D. Lindan, and M.J. Gillan Phil. Mag. B 69 1994 535
57. E.S. Yakub, C. Ronchi, and D. Staicu J. Chem. Phys. 127 2007 094508
58. T. Karakasidis, and P.J.D. Lindan J. Phys.: Condens. Matter. 6 1994 2965
59. A.Y. Kupryazhkin, A.N. Zhiganov, D.V. Risovanyi, V.D. Risovanyi, and V.N. Golovanov Tech. Phys. 49 2 2004 254
60. T. Arima, S. Yamasaki, Y. Inagaki, and K. Idemitsu J. Alloys. Comp. 400 2005 43
61. J.R. Walker, and C.R.A. Catlow J. Phys. C: Sol. State Phys. 14 1981 L979
62. H. Matzke, Diffusion processes in nuclear fuels, J. Less-common Metals 121.
63. H. Matzke Diffusion Processes in Nuclear Fuels 1992 Elsevier Science Publishers
64. S. Nicoll, H. Matzke, R.W. Grimes, and C.R.A. Catlow J. Nucl. Mater. 240 1997 185
65. K. Govers, S.E. Lemehov, and M. Verwerft J. Nucl. Mater. 374 2008 461
66. D. Andersson, J. Lezama, B. Uberuaga, C. Deo, and S. Conradson Phys. Rev. B 79 2011 024110