Atomistic Simulation of Primary Radiation Damage Profiles in Fluorine-Doped Tin Oxide Thin Film Target Using SRIM Code
DOI:
https://doi.org/10.25159/3005-2602/15610Keywords:
fluorine-doped tin oxide, SRIM code, iradina code, displacement per atom, energy partitioning, binary collision approximationAbstract
In this study, we investigated the discrepancy between the numbers of atomic displacements obtained from the Vac.txt method and those obtained from the Vac.dam method using SRIM-2013 operated in full cascade mode. The SRIM simulations also calculated energy partitioning, damage dose and distribution profiles of the implanted He, C and O ions at three different ion energies of 10 keV, 100 keV and 1 MeV. In all the simulations and at each ion energy value, the target thickness was increased until the entire ion beam was absorbed within the target. The simulated fluorine-doped tin oxide (FTO) thin film target stoichiometrically comprised 78.6% Sn, 16.4% O and 5.0% F, and a 6.013 g/cm3 bulk density. To achieve relatively good statistics with compromised computational time, each run followed 10 000 ion histories. The results indicated that, with increasing ion energies, the peaks of vacancy concentrations moved deeper into the material. For He ions, the vacancy profiles have peaks at ∼0.04, ~0.45 and ~2.9 µm at 10 keV, 100 keV and 1 MeV, respectively. Meanwhile, for C and O ions, the peaks were at ∼0.012, ~0.15 and ~1.23 µm for C ions and ∼0.01, 0.12 and 1.2 µm for O ions at 10 keV, 100 keV and 1 MeV, respectively. We also observed that for all the ions and at all ion energies considered, the Vac.txt method predicted more vacancies than the Vac.dam method, and the discrepancies generally increased with increasing Z by an average value of ∼1.21, ∼1.45 and 1.48 for He, C and O ions respectively. In addition, the electronic and nuclear partitioning profiles revealed that most of the energies of the ions were lost in collision with atomic electrons due to ionisation and excitations, and little to nuclear events. The simulations also revealed that nuclear stopping powers increase at low ion energies. This study also indicated that damage dose profiles strongly depend on the type of incident particle and its energy. A comparison of SRIM and iradina calculated vacancies and incident ion distribution profiles generally indicated perfect agreements between the two codes. FTO thin film remains a promising material for thermal control applications in future spacecraft. However, further analyses are still necessary to comprehensively understand its evolution under intense radiation environments comprising various ions and at different energies.
References
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[28] M. Guthoff, W. de Boer and S. Müller, “Simulation of beam induced lattice defects of diamond detectors using FLUKA,” NIM-A, vol. 735, pp. 223–228, 2014, doi: 10.1016/j.nima.2013.08.083.
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[32] M. A. Amirkhani and F. Khoshahval, “Evaluation of the radiation damage effect on mechanical properties in Tehran research reactor (TRR) clad,” Nucl. Eng. Technol., vol. 52, no. 12, pp. 2975–2981, 2020, doi: 10.1016/j.net.2020.05.028.
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[34] M. J. Norgett, M. T. Robinson and I. M. Torrens, “A proposed method of calculating displacement dose rates,” Nucl. Eng. Des., vol. 33, no. 1, pp. 50–54, 1975, doi: 10.1016/0029-5493(75)90035-7.
[35] S. Chen and D. Bernard, “On the calculation of atomic displacements using damage energy,” Results Phys., vol. 16, p. 102835, 2020, doi: 10.1016/j.rinp.2019.102835.
[36] J. P. Crocombette, L. van Brutzel, D. Simeone and L. Luneville, “Molecular dynamics simulations of high energy cascade in ordered alloys: Defect production and subcascade division,” J. Nucl. Mater., vol. 474, pp. 134–142, 2016, doi: 10.1016/j.jnucmat.2016.03.020.
[37] K. Nordlund et al., “Improving atomic displacement and replacement calculations with physically realistic damage models,” Nat. Commun., vol. 9, no. 1, pp. 1–8, 2018, doi: 10.1038/s41467-018-03415-5.
[38] J. F. Ziegler, M. D. Ziegler and J. P. Biersack, “SRIM—The stopping and range of ions in matter (2010),” NIM-B, vol. 268, nos 11–12, pp. 1818–1823, 2010, doi: 10.1016/j.nimb.2010.02.091.
[39] J. C. Chancellor et al., “Limitations in predicting the space radiation health risk for exploration astronauts,” NPJ Microgravity, vol. 4, no. 1, pp. 1–11, 2018, doi: 10.1038/s41526-018-0043-2.
[40] M. Maalouf, M. Durante and N. Foray, “Biological effects of space radiation on human cells: History, advances and outcomes,” Journal of Radiation Research, vol. 52, no. 2, pp. 126–146, 2011, doi: 10.1269/jrr.10128.
[41] W. Z. Samad, M. M. Salleh, A. Shafiee and M. A. Yarmo, “Structural, optical and electrical properties of fluorine doped tin oxide thin films deposited using inkjet printing technique,” Sains Malaysiana, vol. 40, no. 3, pp. 251–257, 2011.
[42] M. J. Madito, T. T. Hlatshwayo, V. A. Skuratov, C. B. Mtshali, N. Manyala and Z. M. Khumalo, “Characterization of 167 MeV Xe ion irradiated n-type 4H-SiC,” Appl. Surf. Sci. J., 2019, doi: 10.1016/j.apsusc.2019.07.147.
[43] Y. Kudriavtsev, A. Villegas, A. Godines and R. Asomoza, “Calculation of the surface binding energy for ion sputtered particles,” Appl. Surf. Sci., vol. 239, nos 3–4, pp. 273–278, 2005, doi: 10.1016/j.apsusc.2004.06.014.
[44] A. Y. Konobeyev, U. Fischer, Y. A. Korovin and S. P. Simakov, “Evaluation of effective threshold displacement energies and other data required for the calculation of advanced atomic displacement cross-sections,” Nucl. Energy Technol., vol. 3, no. 3, pp. 169–175, 2017, doi: 10.1016/j.nucet.2017.08.007.
[45] Y. Zhang et al., “Response of strontium titanate to ion and electron irradiation,” J. Nucl. Mater., vol. 389, no. 2, pp. 303–310, 2009, doi: 10.1016/j.jnucmat.2009.02.014.
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2024-11-12
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B. Oryema, I. G. Madiba, and C. B. Mtshali, “Atomistic Simulation of Primary Radiation Damage Profiles in Fluorine-Doped Tin Oxide Thin Film Target Using SRIM Code”, NH, vol. 3, p. 23 pages, Nov. 2024.
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Copyright (c) 2024 Bosco Oryema, Itani G. Madiba, Christopher B. Mtshali
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