Molecular dynamics-based characterisation of early oxide in Fe/Cr alloys
The addition of Cr is known to work as an effective prevention against oxidation in Fe-based alloys. This can be attributed to the peripheral oxide, the structure of which is dependent on the composition of the alloy. Using Molecular Dynamic (MD) calculations with a Reactive Force Field (ReaxFF) pot...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-11-01
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| Series: | Results in Surfaces and Interfaces |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666845922000289 |