First-principles study of the solute segregation in twin boundaries in Mg and possible descriptors for mechanical properties
Twin boundaries play an important role in shaping the mechanical properties of Mg and Mg alloys. In this study, we simulate the segregation energies (SEs) of 23 solutes in the profuse {101¯2} and {101¯1} twin boundaries in Mg. Almost all solutes have both negative and positive SEs (except Tl), which...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-03-01
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| Series: | Materials & Design |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127518309389 |