Effect of Nb Segregation on the Stability of the FeΣ3(111) Grain Boundary by First Principles Investigation
The segregation of niobium (Nb) at the FeΣ3(111) grain boundary and its influence on interfacial cohesion were investigated via spin-polarized density functional theory calculations. Nb atoms exhibit strong site-selective segregation, with Site 1 being the most thermodynamically favorable one (segre...
Sábháilte in:
| Príomhchruthaitheoirí: | , , , , , |
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| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe / Cruthaithe: |
MDPI AG
2026-05-01
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| Sraith: | Metals |
| Ábhair: | |
| Rochtain ar líne: | https://www.mdpi.com/2075-4701/16/6/598 |
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