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Molecular dynamics simulations of cascade damage near the Y2Ti2O7 nanocluster/ferrite interface in nanostructured ferritic alloys |
| Yi-Qiang Sun(孙祎强), Wen-Sheng Lai(赖文生) |
| Laboratory of Advanced Materials, School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China |
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Abstract A comparative study of cascades in nanostructured ferritic alloys and pure Fe is performed to reveal the influence of Y2Ti2O7 nanocluster on cascades by molecular dynamics simulations. The cascades with energies of primary knock-on atom (PKA) ranging from 0.5 keV to 4.0 keV and PKA's distances to the interface from 0 Å to 50 Å are simulated. It turns out that the Y2Ti2O7 nanocluster can absorb the kinetic energy of cascade atoms, prevent the cascade from extending and reduce the defect production significantly when the cascades overlap with the nanocluster. When the cascade affects seriously the nanocluster, the weak sub-cascade collisions are rebounded by the nanocluster and thus leave more interstitials in the matrix. On the contrary, when the cascade contacts weakly the nanocluster, the interface can pin the arrived interstitials and this leaves more vacancies in the matrix. Moreover, the results indicate that the Y2Ti2O7 nanocluster keeps stable upon the displacement cascade damage.
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Received: 18 March 2017
Revised: 12 April 2017
Accepted manuscript online:
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PACS:
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61.80.-x
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(Physical radiation effects, radiation damage)
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28.41.Qb
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(Structural and shielding materials)
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02.70.Ns
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(Molecular dynamics and particle methods)
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| Fund: Project supported by the Science Challenge Project of China (Grant No.TZ2016002) and the National Natural Science Foundation of China (Grant No.50871057). |
Corresponding Authors:
Wen-Sheng Lai
E-mail: wslai@tsinghua.edu.cn
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Cite this article:
Yi-Qiang Sun(孙祎强), Wen-Sheng Lai(赖文生) Molecular dynamics simulations of cascade damage near the Y2Ti2O7 nanocluster/ferrite interface in nanostructured ferritic alloys 2017 Chin. Phys. B 26 076106
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