Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron.
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ABSTRACT:
SUBMITTER: Li X
PROVIDER: S-EPMC4816880 | biostudies-literature | 2016 Jun
REPOSITORIES: biostudies-literature
Publications
Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron.
Li Xiangyan X Liu Wei W Xu Yichun Y Liu C S CS Pan B C BC Liang Yunfeng Y Fang Q F QF Chen Jun-Ling JL Luo G-N GN Lu Guang-Hong GH Wang Zhiguang Z
Data in brief 20160319
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. ...[more]
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