Atomic-scale segregation behavior of Sn/Ti and O at Σ3[11¯0](111) grain boundary in niobium
First-principle calculation was performed to illustrate the atomic arrangement and segregation behavior of Sn/Ti and O in Σ3[11¯0](111) grain boundary, and the interaction of oxygen interstitials with Sn/Ti atoms on the grain boundary was studied. The analyses on the segregation energies and geometr...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2016-04-01
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| Series: | Progress in Natural Science: Materials International |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1002007116300120 |