First-principles analysis on the nitrogen adsorption and diffusion in Ti alloy towards clarified diffusion mechanism in nitriding
Based on first-principles calculations, the adsorption and diffusion of the nitrogen atoms in Ti bulk and Ti surface layer were studied. Al doping is considered in the study of the surface layer. We first calculated and studied N in bulk Ti and obtained that the N atom preferentially occupies the oc...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-11-01
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| Series: | Journal of Materials Research and Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785422015198 |