Abstract
Collision cascades near symmetrical tilt grain boundaries in UO2 have been investigated at energy of 5 keV. Primary knock-on atom with a distance of 3.5 nm from grain boundaries has been accelerated towards and perpendicular to the interface. Evolvement of the cascade is tracked employing classical molecular dynamics. Time evolution of the number of displaced atoms, Frenkel pairs and replacement atoms created by cascade is given. Simulations suggest that misorientation angle of the grain boundary has no effect on the final number of displaced atoms and replacement atoms. Additionally, final spatial distribution of displaced atoms at the end of the simulations has been investigated.
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References
W J Weber Radiat. Effects 83 145 (1984)
R T Robinson J. Nucl. Mater. 216 1 (1994)
L Van Brutzel and M Rarivomanantsoa J. Nucl. Mater. 358 209 (2006)
J M Delaye and D Ghaleb J. Nucl. Mater. 348 243 (2006)
H J Matzke, P G Lucuta and T Wiss Nucl. Instrum. Methods Phys. Res. B 920 166 (2000)
L Van Brutzel, E V Aublant and J M Delaye Nucl. Instrum. Methods Phys. Res. B 267 3013 (2009)
F Gao, W J Weber and R Devanathan Nucl. Instrum. Methods Phys. Res. B 180 176 (2001)
L Veiller, J P Crocombette and D Ghaleb J. Nucl. Mater. 306 61 (2002)
J M Delaye and D Ghaleb Phys. Rev. B 135 201 (1998)
X F Tian, T Gao, C S Long, J K Li, G Jiang and H X Xiao Nucl. Instrum. Methods Phys. Res. B 269 1771 (2011)
R Shanker Indian J. Phys. 85 1705 (2011)
N V Hong, M T Lan and P K Hung Indian J. Phys. 87 879 (2013)
G Martin, S Maillard, L Van Brutzel, P Garcia, B Dorado and C Valot J. Nucl. Mater. 385 351 (2009)
L Van Brutzel, M Rarivomanantsoa and D Ghaleb J. Nucl. Mater. 354 28 (2006)
R Devanathan, J Yu and W J Weber J. Chem. Phys. 130 174502 (2009)
L Van Brutzel and E Vincent-Aublant, J. Nucl. Mater. 377 522 (2008)
S J Plimpton J. Comp. Phys. 117 1 (1995)
N D Morelon, D Ghaleb, J M Delaye and L V Brutzel Phil. Mag 83 1533 (2003)
G Rajagopal and R Needs J. Comp. Phys. 115 399 (1994)
N Karasawa and W A Goddard J. Chem. Phys. 93 7320 (1989)
W G Hoover Phys. Rev. A 31 1695 (1985)
W G Hoover Phys. Rev. A 34 2499 (1986)
S Melchionna, G Ciccotti and B L Holian Mol. Phys. 78 533 (1993)
E Vincent-Aublant, J M Delaye and L Van Brutzel J. Nucl. Mater. 392 114 (2009)
A Suzuki and Y Mishin J. Mater. Sci. 40 3155 (2005)
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This work bas been supported by the National Natural Science Foundation of China (Grant No. 11205146).
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Tian, X.F., Gao, T., Xiao, H.X. et al. Dynamical simulations of displacement cascades near symmetrical tilt grain boundaries in UO2 . Indian J Phys 88, 137–143 (2014). https://doi.org/10.1007/s12648-013-0400-7
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DOI: https://doi.org/10.1007/s12648-013-0400-7