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, near the GB and at the GB at across scales were given.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4816880 | PMC |
| http://dx.doi.org/10.1016/j.dib.2016.03.052 | DOI Listing |
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