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Based on the Geant4 program-the package for simulating particle transportation in materials, simulations of the irradiation by neutrons with 1 MeV energy in zirconium were conducted The two adjacent elastic collisions between injected neutron and target atoms produce numerous primary knock-on atoms (PKA). It is found that the average distance of adjacent collisions is 29.47 mm, and the kinetic energy of most PKAs ranges from 1 keV to 15 keV. The damaged area induced by the PKAs is in nanometer scale, which is far less than the distance between the two PKAs. According to the fact that, the subsequent cascade collisions caused by the two PKAs can be considered as a set of independent processes, it is reasonable to study the cascade collisions of the PKAs by means of molecular dynamics method. The cascade collision progress of PKAs with different energies was performed, and the number of interstitial atoms and the size of the damaged regions in the material were extracted. Through the combination of Monte Carlo method and molecular dynamics simulation, a complete physical picture of the primary damage caused by the 1 MeV neutrons in the zirconium was obtained.
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Keywords:
- radiation damage /
- cascade collision /
- Monte Carlo simulation /
- molecular dynamics
[1] Yu Q Z, Yin W, Liang T J 2011 Acta Phys. Sin. 60 052501 (in Chinese) [于全芝, 殷雯, 梁天骄 2011 物理学报 60 052501]
[2] Gary W S 2007 Fundamentals of Radiation Materials Science (Berlin: Springer) p12
[3] Office of Basic Energy Sciences 2006 Basic Research Needs for Advanced Nuclear Energy Systems (U.S: Department Of Energy)
[4] Samaras M, Victoria M, Hoffelner W 2009 J. Nucl. Mater 392 286
[5] Bacon J D, Calder F A, Gao F 1997 J. Nucl. Mater. 251 1
[6] Trachenko K, Zarkadoula E, Todorov T I, Dove T M, Dunstan J D, Nordlund K 2012 Nuclear Instruments and Methods in Physics Research B 277 6
[7] Souidi A, Hou M, Becquart S C, Malerba L, Domain C, Stoller E R 2011 J. Nucl. Mater. 419 122
[8] Maire M, Wright D H, Urban L 2004 GEANT4 Physics Reference Manual
[9] Mendelev M I, Ackland G J 2007 Phil. Mag. Lett. 87 349
[10] Dierckx R 1987 J. Nucl. Mater. 144 214
[11] Yu G, Li X Q, Sha J J, Yu J N, Xu S Y, Cai C H 2004 Chinese Jounal of Nuclear Science and Engineering 24 139 (in Chinese) [郁刚, 李晓强, 沙建军, 郁金南, 许淑艳, 蔡崇海 2004 核科学与工程 24 139]
[12] Gao F, Bacon J D, Flewitt J E P, Lewis A T 1997 J. Nucl. Mater. 249 77
[13] Yu J N 2007 Materials Irradiation effect (Beijing: Chemical Industry Press) (in Chinese) [郁金南 2007 材料辐照效应 (北京: 化学工业出版社) 第125页]
[14] Bacon J D, Gao F, Osetsky Y N 2000 J. Nucl. Mater. 276 1
[15] Heinisch H L, Singh B N 1992 Phil. Mag. A 67 407
[16] Takahashi A, Hirose K, Soneda N, Kikuchi M 2006 Key Engineering Materials 306 923
[17] Stoller E R 2000 Nuclear Engineering and Design 195 129
[18] Gao F, Bacon D J, Howe L M, So C B 2001 J. Nucl. Mater. 294 288
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[1] Yu Q Z, Yin W, Liang T J 2011 Acta Phys. Sin. 60 052501 (in Chinese) [于全芝, 殷雯, 梁天骄 2011 物理学报 60 052501]
[2] Gary W S 2007 Fundamentals of Radiation Materials Science (Berlin: Springer) p12
[3] Office of Basic Energy Sciences 2006 Basic Research Needs for Advanced Nuclear Energy Systems (U.S: Department Of Energy)
[4] Samaras M, Victoria M, Hoffelner W 2009 J. Nucl. Mater 392 286
[5] Bacon J D, Calder F A, Gao F 1997 J. Nucl. Mater. 251 1
[6] Trachenko K, Zarkadoula E, Todorov T I, Dove T M, Dunstan J D, Nordlund K 2012 Nuclear Instruments and Methods in Physics Research B 277 6
[7] Souidi A, Hou M, Becquart S C, Malerba L, Domain C, Stoller E R 2011 J. Nucl. Mater. 419 122
[8] Maire M, Wright D H, Urban L 2004 GEANT4 Physics Reference Manual
[9] Mendelev M I, Ackland G J 2007 Phil. Mag. Lett. 87 349
[10] Dierckx R 1987 J. Nucl. Mater. 144 214
[11] Yu G, Li X Q, Sha J J, Yu J N, Xu S Y, Cai C H 2004 Chinese Jounal of Nuclear Science and Engineering 24 139 (in Chinese) [郁刚, 李晓强, 沙建军, 郁金南, 许淑艳, 蔡崇海 2004 核科学与工程 24 139]
[12] Gao F, Bacon J D, Flewitt J E P, Lewis A T 1997 J. Nucl. Mater. 249 77
[13] Yu J N 2007 Materials Irradiation effect (Beijing: Chemical Industry Press) (in Chinese) [郁金南 2007 材料辐照效应 (北京: 化学工业出版社) 第125页]
[14] Bacon J D, Gao F, Osetsky Y N 2000 J. Nucl. Mater. 276 1
[15] Heinisch H L, Singh B N 1992 Phil. Mag. A 67 407
[16] Takahashi A, Hirose K, Soneda N, Kikuchi M 2006 Key Engineering Materials 306 923
[17] Stoller E R 2000 Nuclear Engineering and Design 195 129
[18] Gao F, Bacon D J, Howe L M, So C B 2001 J. Nucl. Mater. 294 288
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