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Effect of nonmetallic solutes on {10–12} tension twin boundary (TB) are investigated using first-principles calculations. Fourteen kinds of interstitial sites near the {10–12} tension TB for four nonmetallic solutes such as C, N, O, and H are considered. The results show that the C and O atoms are much easier to segregate from the {10–12} tension TB to the octahedral site 1, causing the {10–12} tension...
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