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

Abstract

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 −1eVto −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.