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,...

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Detalhes bibliográficos
Publicado no:Data Brief
Main Authors: Li, Xiangyan, Liu, Wei, Xu, Yichun, Liu, C.S., Pan, B.C., Liang, Yunfeng, Fang, Q.F., Chen, Jun-Ling, Luo, G.-N., Lu, Guang-Hong, Wang, Zhiguang
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2016
Assuntos:
Data Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4816880/
https://ncbi.nlm.nih.gov/pubmed/27077081
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2016.03.052
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