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In this work we study the migration of an interstitial helium atom in different 〈110〉 tilt grain boundaries (Σ19{331}, Σ9{221}, Σ3{111}, Σ3{112}, Σ11{113}, Σ9{114}) in α-Fe, with the misorientation angle varying in the range 26°–141°. Systematic molecular statics and molecular dynamics simulations were performed to characterize the interaction of He with the core of the grain boundaries (GB) and to...
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