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).
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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