Atomistic simulation of interaction between wedge disclination and self- interstitial atom in bcc tungsten

HX Xie and ZZ Mu and GH Lu and FX Yin, JOURNAL OF NUCLEAR MATERIALS, 542, 152460 (2020).

DOI: 10.1016/j.jnucmat.2020.152460

Molecular dynamics method has been employed to investigate the interaction between wedge disclination and self-interstitial atom in bcc tungsten. Long-range tensile stress field is shown around the disclination. The interaction energy between self-interstitial atom and the disclination ranges from -1eV to - 6.13eV, which decreases with self-interstitial atom closer to the disclination core. Self- interstitial atoms around the disclination can be absorbed by the edge dislocations of the disclination, leading to a negative climb and thus reduction of the strain energy. It can be concluded that absorption of self-interstitial atoms by the wedge disclination is an energy downhill process, and disclination can serve as an effective sink for eliminating the radiation-induced self-interstitial atoms in bcc tungsten. (C) 2020 Elsevier B.V. All rights reserved.

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