Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Xiangyan Li; Wei Liu; Yichun Xu; C. S. Liu; B. C. Pan; Yunfeng Liang; Q. F. Fang; Jun Ling Chen; G. N. Luo; Guang Hong Lu; Zhiguang Wang

doi:10.1016/j.dib.2016.03.052

Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Xiangyan Li
, Wei Liu
, Yichun Xu^*
, C. S. Liu
, B. C. Pan
, Yunfeng Liang
, Q. F. Fang
, Jun Ling Chen
, G. N. Luo
, Guang Hong Lu
, Zhiguang Wang

^*Corresponding author for this work

School of Physics

CAS - Institute of Solid State Physics
University of Science and Technology of China
Kyoto University
CAS - Institute of Plasma Physics
CAS - Institute of Modern Physics

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	798-813
Number of pages	16
Journal	Data in Brief
Volume	7
DOIs	https://doi.org/10.1016/j.dib.2016.03.052
State	Published - 1 Jun 2016

Access to Document

10.1016/j.dib.2016.03.052

Cite this

@article{143c116688e54167976c48281a6dddf6,

title = "Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron",

abstract = "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.",

author = "Xiangyan Li and Wei Liu and Yichun Xu and Liu, \{C. S.\} and Pan, \{B. C.\} and Yunfeng Liang and Fang, \{Q. F.\} and Chen, \{Jun Ling\} and Luo, \{G. N.\} and Lu, \{Guang Hong\} and Zhiguang Wang",

note = "Publisher Copyright: {\textcopyright} 2016 The Authors.",

year = "2016",

month = jun,

day = "1",

doi = "10.1016/j.dib.2016.03.052",

language = "英语",

volume = "7",

pages = "798--813",

journal = "Data in Brief",

issn = "2352-3409",

publisher = "Elsevier Inc.",

}

TY - JOUR

T1 - Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

AU - Li, Xiangyan

AU - Liu, Wei

AU - Xu, Yichun

AU - Liu, C. S.

AU - Pan, B. C.

AU - Liang, Yunfeng

AU - Fang, Q. F.

AU - Chen, Jun Ling

AU - Luo, G. N.

AU - Lu, Guang Hong

AU - Wang, Zhiguang

PY - 2016/6/1

Y1 - 2016/6/1

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/84962595992

U2 - 10.1016/j.dib.2016.03.052

DO - 10.1016/j.dib.2016.03.052

M3 - 文章

AN - SCOPUS:84962595992

SN - 2352-3409

VL - 7

SP - 798

EP - 813

JO - Data in Brief

JF - Data in Brief

ER -

Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Abstract

Access to Document

Other files and links

Fingerprint

Cite this