• NUCLEAR TECHNIQUES
  • Vol. 46, Issue 12, 120504 (2023)
Jiangwei XU1, Chao ZHANG1、*, Fei MAO2, and Fengshou ZHANG3、**
Author Affiliations
  • 1School of Materials Science and Engineering, Anhui University of Science and Technology, Huainan 232001, China
  • 2School of Nuclear Science and Technology, University of South China, Hengyang 421001, China
  • 3College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, China
  • show less
    DOI: 10.11889/j.0253-3219.2023.hjs.46.120504 Cite this Article
    Jiangwei XU, Chao ZHANG, Fei MAO, Fengshou ZHANG. Progress on theoretical simulation study of the influence of electronic energy loss on the irradiation defects of materials[J]. NUCLEAR TECHNIQUES, 2023, 46(12): 120504 Copy Citation Text show less
    (a) Schematic representation of the nuclear (blue) and electronic (red) stopping powers as a function of the ion projectile energy, (b) schematic representation of the energy deposition and dissipation for a SHI irradiation event[15], (c) schematic representation of the simulation cell[17] (color online)
    Fig. 1. (a) Schematic representation of the nuclear (blue) and electronic (red) stopping powers as a function of the ion projectile energy, (b) schematic representation of the energy deposition and dissipation for a SHI irradiation event[15], (c) schematic representation of the simulation cell[17] (color online)
    Energy loss of electronic stopping (Electronic stopping, Elec.) and nuclear stopping (Nuclear stopping, Nucl.) for energies ranging from 0 eV to 100 MeV in the SRIM simulation of Si bombarding SiC. The inset shows the enlarged detail of the energy loss in the range of 0 eV to 140 keV[29] (color online)
    Fig. 2. Energy loss of electronic stopping (Electronic stopping, Elec.) and nuclear stopping (Nuclear stopping, Nucl.) for energies ranging from 0 eV to 100 MeV in the SRIM simulation of Si bombarding SiC. The inset shows the enlarged detail of the energy loss in the range of 0 eV to 140 keV[29] (color online)
    Damage evolution (non-cubic diamond structure atoms, NCDS) (a) and variations of recoils (b) under different energies of Si ion radiation, (c) variations of radiation energy (left axis, black), number of NCDS atoms (right axis, red), maximum electron temperature (right axis, green), and timestep (right axis, blue) and lattice temperature under NVE ensemble (right axis, purple) during 20 MeV initial energy of single Si ion radiation[29] (color online)
    Fig. 3. Damage evolution (non-cubic diamond structure atoms, NCDS) (a) and variations of recoils (b) under different energies of Si ion radiation, (c) variations of radiation energy (left axis, black), number of NCDS atoms (right axis, red), maximum electron temperature (right axis, green), and timestep (right axis, blue) and lattice temperature under NVE ensemble (right axis, purple) during 20 MeV initial energy of single Si ion radiation[29] (color online)
    Energy deposition (left axis) and damage profile (right axis) as a function of penetration depth from SRIM simulations under different radiation energies[29] (color online)
    Fig. 4. Energy deposition (left axis) and damage profile (right axis) as a function of penetration depth from SRIM simulations under different radiation energies[29] (color online)
    During the cascade collision process of 3C-SiC sample: (a) with changes in the electron-ion coupling coefficient γp, the number of final residual carbon vacancies VC, silicon vacancies VSi, carbon anti-site defects SiC, and silicon anti-site defects CSi in the system varies, (b) with changes in γp, the maximum number of defects (including vacancies and anti-site defects) (Np), the number of defects at final stability (Nr) and defects repaired by annealing (Na) exhibit variations; when γp is in the range of 20~2 400 g∙(mol∙ps)-1, the evolution of atomic (c) and electronic (d) temperature with time is also depicted[30] (color online)
    Fig. 5. During the cascade collision process of 3C-SiC sample: (a) with changes in the electron-ion coupling coefficient γp, the number of final residual carbon vacancies VC, silicon vacancies VSi, carbon anti-site defects SiC, and silicon anti-site defects CSi in the system varies, (b) with changes in γp, the maximum number of defects (including vacancies and anti-site defects) (Np), the number of defects at final stability (Nr) and defects repaired by annealing (Na) exhibit variations; when γp is in the range of 20~2 400 g∙(mol∙ps)-1, the evolution of atomic (c) and electronic (d) temperature with time is also depicted[30] (color online)
    Evolutions of PKA kinetic energy (a) and displacement (b) over time in the SiC/Gra/SiC composite system with the 2T-MD and classical MD models, respectively[33] (color online)
    Fig. 6. Evolutions of PKA kinetic energy (a) and displacement (b) over time in the SiC/Gra/SiC composite system with the 2T-MD and classical MD models, respectively[33] (color online)
    After 100 keV Ni ion self-irradiation: (a) relationship between the number of Frenkel pairs and the cascade collision events in the electronic stopping and 2T-MD models, temporal evolution of atomic (b) and electronic (c) temperature in the 2T-MD model[40] (color online)
    Fig. 7. After 100 keV Ni ion self-irradiation: (a) relationship between the number of Frenkel pairs and the cascade collision events in the electronic stopping and 2T-MD models, temporal evolution of atomic (b) and electronic (c) temperature in the 2T-MD model[40] (color online)
    (a~e) Interstitial cluster count found in each cascade event according to size, (f~j) vacancy clusters found in each cascade event according to size. The green bars represent simulations without e-ph coupling, whereas the purple bars represent the cascades with e-ph coupling taken into account[40] (color online)
    Fig. 8. (a~e) Interstitial cluster count found in each cascade event according to size, (f~j) vacancy clusters found in each cascade event according to size. The green bars represent simulations without e-ph coupling, whereas the purple bars represent the cascades with e-ph coupling taken into account[40] (color online)
    For the 2T-MD model cases at the end of the simulation time for 150 keV Ni ion cascades in Ni: average surviving number of Frenkel pairs (the error bars represent the standard error over 15 cascade events for each case) (a), interstitial (b) and vacancy cluster count (c)[41] (color online)
    Fig. 9. For the 2T-MD model cases at the end of the simulation time for 150 keV Ni ion cascades in Ni: average surviving number of Frenkel pairs (the error bars represent the standard error over 15 cascade events for each case) (a), interstitial (b) and vacancy cluster count (c)[41] (color online)
    Average surviving defects for 30 keV (a) and 50 keV (b) Ni cascades in Ni and NiFe alloys. Final defects of classical MD (c, d) and 2T-MD (e, f) at 50 keV cascades collision energy in NiFe alloys with the same PKA velocity direction. (c) and (e) show the surviving interstitials, and (d) and (f) show the surviving vacancies[42] (color online)
    Fig. 10. Average surviving defects for 30 keV (a) and 50 keV (b) Ni cascades in Ni and NiFe alloys. Final defects of classical MD (c, d) and 2T-MD (e, f) at 50 keV cascades collision energy in NiFe alloys with the same PKA velocity direction. (c) and (e) show the surviving interstitials, and (d) and (f) show the surviving vacancies[42] (color online)
    Average number of surviving defects (Frenkel pairs) at the end of the simulation time for 50 keV Ni cascades in Ni (a) and NiFe (b). The error bars represent the standard error for ten cascade events. The results of the classical MD simulations from Ref.[42] is provided for comparison, (c) the number of atoms with a velocity higher than the cut-off value at a 0.2 ps simulation time in Ni and NiFe[44] (color online)
    Fig. 11. Average number of surviving defects (Frenkel pairs) at the end of the simulation time for 50 keV Ni cascades in Ni (a) and NiFe (b). The error bars represent the standard error for ten cascade events. The results of the classical MD simulations from Ref.[42] is provided for comparison, (c) the number of atoms with a velocity higher than the cut-off value at a 0.2 ps simulation time in Ni and NiFe[44] (color online)
    Maximum electronic temperature for Ni ion cascades in Ni (a) and NiFe (b). Corresponding maximum atomic temperature in Ni (c) and NiFe (d). (e) Comparison between the maximum atomic temperature for a 1 ps e-ph coupling activation time shown in (c) and (d)[44] (color online)
    Fig. 12. Maximum electronic temperature for Ni ion cascades in Ni (a) and NiFe (b). Corresponding maximum atomic temperature in Ni (c) and NiFe (d). (e) Comparison between the maximum atomic temperature for a 1 ps e-ph coupling activation time shown in (c) and (d)[44] (color online)
    Average number of surviving Frenkel pairs for 30 keV (a), 50 keV (b) and 150 keV (c) Ni ion cascades[45-46], numbers of isolated self-interstitial atoms (d) and isolated vacancies (e)[45], numbers of interstitial (f) and vacancy clusters (g) in Ni80Pd20[46] (color online)
    Fig. 13. Average number of surviving Frenkel pairs for 30 keV (a), 50 keV (b) and 150 keV (c) Ni ion cascades[45-46], numbers of isolated self-interstitial atoms (d) and isolated vacancies (e)[45], numbers of interstitial (f) and vacancy clusters (g) in Ni80Pd20[46] (color online)
    Maximum atomic and electronic temperatures for 2T-MD cascade simulations of NiPd (a) and Ni80Pd20 (b), atomic and electronic temperatures of the center cell of the MD box in NiPd (c) and Ni80Pd20 (d)[45] (color online)
    Fig. 14. Maximum atomic and electronic temperatures for 2T-MD cascade simulations of NiPd (a) and Ni80Pd20 (b), atomic and electronic temperatures of the center cell of the MD box in NiPd (c) and Ni80Pd20 (d)[45] (color online)
    Jiangwei XU, Chao ZHANG, Fei MAO, Fengshou ZHANG. Progress on theoretical simulation study of the influence of electronic energy loss on the irradiation defects of materials[J]. NUCLEAR TECHNIQUES, 2023, 46(12): 120504
    Download Citation