NUCLEAR TECHNIQUES, Volume. 47, Issue 4, 040502(2024)

AISL: a LAMMPS-based automated XFEL irradiation damage simulation program

Yue ZHOU1, Xue HAI2,3, Cuilan REN2, Yaru YIN1, Kunlin SHANG1, Lei LEI1、*, and Ping HUAI1,2,4
Author Affiliations
  • 1ShanghaiTech University, Shanghai 201210, China
  • 2Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China
  • 3University of Chinese Academy of Sciences, Beijing 100049, China
  • 4Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China
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    Figures & Tables(12)
    Framework of the AISL program
    General flow chart of radiation simulation calculations
    Workflow of high-throughput automated irradiation simulation
    Database model for radiation damage simulation
    Real-time visualization interface of the radiation damage workflow state (Green: COMPLETED, Yellow: RUNNING, Blue: READY) (color online)
    Evolution of electron-lattice temperature in the gold film depicted under femtosecond laser loading with a pulse width of 0.13 ps and various laser energies (color online)
    Evolution of electron-lattice temperature in the gold film depicted under laser loading with a laser energy density of 0.18 MJ∙kg-1 and various pulse widths (color online)
    Under femtosecond laser loading at various laser energies, the maximum electron temperature (Temax) and time to reach Temax(a), and the electron-lattice equilibrium temperature and coupling time (b)
    Under laser loading at various pulse widths, the maximum electron temperature (Temax), and time to reach Temax (a), the electron-lattice equilibrium temperature and coupling time (b)
    Schematic of three-node high-availability architecture deployment
    • Table 1. Main XFEL facilities worldwide

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      Table 1. Main XFEL facilities worldwide

      装置名称

      Facility name

      建设地点

      Location

      最大电子能量

      Maximum electron energy / GeV

      光子能量范围

      Photon energy range / keV

      脉冲长度

      Pulse length / fs

      FLASH德国 Germany1.250.014~0.310~200
      European-XFEL德国 Germany17.50.24~30.81~300
      LCLS美国 USA16.90.28~12.830~100
      LCLS-II美国 USA15.00.2~25.01~500
      SACLA日本 Japan8.54.0~20.02~10
      SwissFEL瑞士 Switzerland5.80.248~12.40.2~20
      PAL-XFEL韩国 Korea10.00.28~20.75~100
      SXFEL中国 China1.60.24~30.830~1 000
      SHINE中国 China8.00.4~25.03~600
    • Table 2. Primary parameters of the XFEL irradiation simulation system

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      Table 2. Primary parameters of the XFEL irradiation simulation system

      物理量Physical quantity值Value
      材料MaterialsAu
      晶格类型Lattice typeFaced-centered Cubic (FCC)
      晶格常数Lattice constant / nm0.408
      尺寸Size / nm329.784×4.08×4.08
      原子质量Atomic mass / u197
      熔点Melting point / K1 338
      势函数 Potential functionAu.eam.fs[23]
      吸收激光能量密度 Absorbed energy density / MJ∙kg-10.18、0.27、0.36、0.45、0.54、0.63、0.72、0.81、0.90、0.99、1.08,脉冲宽度为0.13 ps Pulse width is 0.13 ps
      脉冲宽度Pulse width / ps0.1、0.2、0.3、0.4、0.5、0.6、0.7、0.8、0.9、1、2、4、6、8、10,吸收激光能量密度为0.18 MJ∙kg-1 Absorbed energy density is 0.18 MJ∙kg-1
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    Yue ZHOU, Xue HAI, Cuilan REN, Yaru YIN, Kunlin SHANG, Lei LEI, Ping HUAI. AISL: a LAMMPS-based automated XFEL irradiation damage simulation program[J]. NUCLEAR TECHNIQUES, 2024, 47(4): 040502

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    Paper Information

    Category: Research Articles

    Received: Jan. 2, 2024

    Accepted: --

    Published Online: May. 28, 2024

    The Author Email: LEI Lei (雷蕾)

    DOI:10.11889/j.0253-3219.2024.hjs.47.040502

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