NUCLEAR TECHNIQUES, Volume. 46, Issue 12, 120301(2023)

Molecular dynamics analysis of primary radiation damage evolution in nickel, iron, and tungsten

Hong YING1,4, Ali WEN2、*, Suiru ZHOU3, Xue HAI2, Wenfeng ZHANG3, Cuilan REN2、**, Haining SHI1,4, and Hefei HUANG2
Author Affiliations
  • 1Suzhou Nuclear Power Research Institute Co., Ltd., Suzhou 215004, China
  • 2Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China
  • 3School of New Energy and Materials, Southwest Petroleum University, Chengdu 610500, China
  • 4National Engineering Research Center for Nuclear Power Plant Safety & Reliability, Suzhou 215004, China
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    Figures & Tables(10)
    Changes in the number of primary knocks-on defects in nickel: (a) <135>, (b) <122>, and (c) <100> distinct crystal orientations under different temperatures and various PKA energies as a function of time
    Evolution of time-dependent defects in nickel at 300 K with PKA direction of <135> (a) Defect evolution and arrangements in nickel with PKA energy of 20 keV; insets (a2~a5) are the typical defect arrangements during the four typical stages (collision, thermal peak, quenching, and annealing) of the displacement cascades. Defect distributions during the thermal peak stage (b, c, d) and annealing stage (b2, c2, d2) of nickel with PKA energies of 2 keV, 5 keV, and 10 keV (red sphere represents vacancy, and blue sphere represents interstitial atoms) (color online)
    Comparison of the distribution of defects in nickel at 300 K and 500 K in <122> (a, a2, b, b2) and <100> (c, c2, d, d2) directions with PKA energy of 20 keV (red sphere represents vacancy, whereas the blue sphere represents interstitial atoms) (color online)
    (a) Defect number evolution of nickel in the <135> direction at various temperatures when the PKA energy is 10 keV, (b) Variation of steady-stage defect number of nickel at different temperatures and bombarding directions with PKA energies
    Variation curve of defect numbers of iron (a) and tungsten (b) with various PKA energies and bombarding in the <135> direction. (c) Steady-state defect numbers of iron and tungsten as a function of PKA energy and in the <135> direction. Inset (a2) is the secondary displacement cascade, whereas inset (b2) is the partially enlarged view of (b).
    Thermal peak and steady-state defect distribution in (a, a2) iron and (b, b2) tungsten at the thermal spike and annealing stages, respectively, in the <135> direction when the simulated temperature is 300 K and PKA energy is 20 keV
    Variations of defect recombination (a) and survival (b) rates of nickel, iron, and tungsten with PKA energy at 300 K and 500 K and in the <135> direction
    Comparison of defect numbers of nickel, iron, and tungsten calculated by using various methods
    • Table 1. Atomic interactional potentials of nickel, iron, and tungsten metal and the calculated lattice parameters at various temperatures

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      Table 1. Atomic interactional potentials of nickel, iron, and tungsten metal and the calculated lattice parameters at various temperatures

      材料

      Materials

      势函数

      Potentials

      晶格参数Lattice parameters
      300 K400 K500 K

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      Reference

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      Reference

      镍NickelModified Bony-2011a3.523.516d3.5213.521d3.52293.526d
      铁IronM07-Bb2.8612.860e2.8642.864e2.8682.868e
      钨TungstenChen-2018c3.1693.169f3.1693.171f3.1723.173f
    • Table 2. Material parameters of nickel, iron, and tungsten used for the Arc-dpa model simulation

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      Table 2. Material parameters of nickel, iron, and tungsten used for the Arc-dpa model simulation

      材料

      Materials

      离位阈能

      Ed / eV

      bArc-dpacArc-dpa
      本文This work参考Referencea本文This work参考Referencea
      镍Nickel39-1.962-1.0110.2730.23
      铁Iron40-0.535-0.5680.1790.286
      钨Tungsten70-0.374-0.560.1180.12
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    Hong YING, Ali WEN, Suiru ZHOU, Xue HAI, Wenfeng ZHANG, Cuilan REN, Haining SHI, Hefei HUANG. Molecular dynamics analysis of primary radiation damage evolution in nickel, iron, and tungsten[J]. NUCLEAR TECHNIQUES, 2023, 46(12): 120301

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    Paper Information

    Category: Research Articles

    Received: Aug. 14, 2023

    Accepted: --

    Published Online: Mar. 7, 2024

    The Author Email: WEN Ali (温阿利), REN Cuilan (任翠兰)

    DOI:10.11889/j.0253-3219.2023.hjs.46.120301

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