Abstract To shed a light on Xe bubble nucleation in U-Mo fuel from the view of primary irradiation damage, a reported U-Mo-Xe potential under the framework of embedded atom method has been modified within the range of short and intermediate atomic distance. The modified potential can better describe the interactions between energetic particles, and can accurately reproduce the threshold displacement energy surface calculated by the first-principles method. Then, molecular dynamics simulations of primary irradiation damage in U-Mo-Xe system have been conducted under different contents. The raise of Xe concentration brings about a remarkable promotion in residual defect quantity and generates bubbles in more over-pressured state, which suggests an acceleration of irradiation damage under the accumulation of the fission gas. Meanwhile, the addition of Mo considerably reduces the residual defect count and hinders irradiation-induced Xe diffusion especially at high contents of Xe, corroborating the importance of high Mo content in mitigation of irradiation damage and swelling behavior in U-Mo fuel. In particular, the variation of irradiation damage with respect to contents suggests a necessity of taking into account the influence of local components on defect evolution in mesoscale simulations.
Fund: The authors acknowledge Yi Wang for providing inspiration for dealing with technical problems. Project supported by the National Key Research and Development Program of China (Grant No. 2017YFB0702401) and the National Natural Science Foundation of China (Grant No. 51631005).
Corresponding Authors:
Jian-Bo Liu
E-mail: jbliu@mail.tsinghua.edu.cn
Cite this article:
Wen-Hong Ouyang(欧阳文泓), Jian-Bo Liu(刘剑波), Wen-Sheng Lai(赖文生),Jia-Hao Li(李家好), and Bai-Xin Liu(柳百新) Atomic simulations of primary irradiation damage in U-Mo-Xe system 2023 Chin. Phys. B 32 036101
[1] Snelgrove J L, Hofman G L, Meyer M K, Trybus C L and Wiencek T C 1997 Nucl. Eng. Des.178 119 [2] Landa A, Söderlind P and Turchi P 2011 J. Nucl. Mater.414 132 [3] Kim Y S and Hofman G L 2011 J. Nucl. Mater.419 291 [4] Kalashnikov V V, Titova V V, Sergeev G I and Samoilov A G 1959 Sov. At. Energy5 1315 [5] Rest J, Hofman G L and Kim Y S 2009 J. Nucl. Mater.385 563 [6] Kim Y, Hofman G, Rest J, Shevlyakov G and Riar S 2008 Technical Report No. ANL-08/11 [7] Meyer M K, Hofman G L, Hayes S L, Clark C R, Wiencek T C, Snelgrove J L, Strain R V and Kim K H 2002 J. Nucl. Mater.304 221 [8] Williams W, Rice F, Robinson A, Meyer M and Rabin B 2015 Technical Report INL/LTD-15-34142 [9] Gan J, Keiser D D, Wachs D M, Robinson A B, Miller B D and Allen T R 2010 J. Nucl. Mater.396 234 [10] Van Den Berghe S, Van Renterghem W and Leenaers A 2008 J. Nucl. Mater.375 340 [11] Hofman G L, Copeland G L and Sanecki J E 1986 Nucl. Technol.72 338 [12] Berman R M 1963 Nucl. Sci. Eng.16 315 [13] Liang L, Mei Z G, Kim Y S, Ye B, Hofman G, Anitescu M and Yacout A M 2016 Comput. Mater. Sci.124 228 [14] Rest J 2004 J. Nucl. Mater.326 175 [15] Frazier W E, Hu S, Burkes D E and Beeler B W 2019 J. Nucl. Mater.524 164 [16] Hu S, Joshi V and Lavender C A 2017 Jom69 2554 [17] Hu S, Setyawan W, Joshi V V and Lavender C A 2017 J. Nucl. Mater.490 49 [18] Beeler B, Hu S, Zhang Y and Gao Y 2020 J. Nucl. Mater.530 151961 [19] Plimpton S 1995 J. Comput. Phys.117 1 [20] Smirnova D E, Kuksin A Y, Starikov S V, Stegailov V V, Insepov Z, Rest J and Yacout A M 2013 Modell. Simul. Mater. Sci. Eng.21 035011 [21] Daw M S and Baskes M I 1984 Phys. Rev. B29 6443 [22] Beeler B, Cooper M W D, Mei Z G, Schwen D and Zhang Y 2021 J. Nucl. Mater.543 152568 [23] Tian X, Xiao H, Tang R and Lu C 2014 Nucl. Instrum. Methods Phys. Res. Sect. B321 24 [24] Stoller R E, Tamm A, Beland L K, Samolyuk G D, Stocks G M, Caro A, Slipchenko L V, Osetsky Y N, Aabloo A, Klintenberg M and Wang Y 2016 J. Chem. Theory Comput.12 2871 [25] Kresse G and Furthmüller J 1996 Comput. Mater. Sci.6 15 [26] Blöchl P E 1994 Phys. Rev. B50 17953 [27] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett.77 3865 [28] Monkhorst H J and Pack J D 1976 Phys. Rev. B13 5188 [29] Shinoda W, Shiga M and Mikami M 2004 Phys. Rev. B69 134103 [30] Schneider T and Stoll E 1978 Phys. Rev. B17 1302 [31] Rest J, Kim Y S, Hofman G L, Meyer M K and Hayes S L 2006 Technical Report No. ANL-09/31 [32] Van Den Berghe S and Lemoine P 2014 Nucl. Eng. Technol.46 125
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