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Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron
We provide the dataset of the vacancy (interstitial) formation energy, segregation energy, diffusion barrier, vacancy-interstitial annihilation barrier near the grain boundary (GB) in bcc-iron and also the corresponding interactive range. The vacancy-interstitial annihilation mechanisms in the bulk,...
| Autores principales: | , , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4816880/ https://www.ncbi.nlm.nih.gov/pubmed/27077081 http://dx.doi.org/10.1016/j.dib.2016.03.052 |