On the atomic structure of γ″ phase in Mg-Zn-Gd alloy

Xin Fu Gu; Tadashi Furuhara; Takanori Kiguchi; Toyohiko J. Konno; Leng Chen; Ping Yang

doi:10.1016/j.scriptamat.2017.11.015

On the atomic structure of γ″ phase in Mg-Zn-Gd alloy

Xin Fu Gu, Tadashi Furuhara, Takanori Kiguchi, Toyohiko J. Konno, Leng Chen, Ping Yang

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

25 Citations (Scopus)

Abstract

The atomic structure of γ″ phase in an Mg-Zn-Gd alloy has been determined by atomic resolution high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) and first-principles calculation. The γ″ phase has a hexagonal structure with three atomic layers paralleling to basal plane. It is found that the atomic positions in the middle layer are not coincide with HCP structure but shifted 0.9 Å along 〈10-10〉_α. Moreover, most previously reported structures are unstable and will converge to present result after atomic relaxation, even though the atomic species and initial positions in the middle layer vary in those models.

Original language	English
Pages (from-to)	64-67
Number of pages	4
Journal	Scripta Materialia
Volume	146
DOIs	https://doi.org/10.1016/j.scriptamat.2017.11.015
Publication status	Published - 2018 Mar 15

Keywords

Crystal structure
First-principles
HAADF-STEM
Magnesium alloy
γ″ Phase

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys

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title = "On the atomic structure of γ″ phase in Mg-Zn-Gd alloy",

abstract = "The atomic structure of γ″ phase in an Mg-Zn-Gd alloy has been determined by atomic resolution high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) and first-principles calculation. The γ″ phase has a hexagonal structure with three atomic layers paralleling to basal plane. It is found that the atomic positions in the middle layer are not coincide with HCP structure but shifted 0.9 {\AA} along 〈10-10〉α. Moreover, most previously reported structures are unstable and will converge to present result after atomic relaxation, even though the atomic species and initial positions in the middle layer vary in those models.",

keywords = "Crystal structure, First-principles, HAADF-STEM, Magnesium alloy, γ″ Phase",

author = "Gu, {Xin Fu} and Tadashi Furuhara and Takanori Kiguchi and Konno, {Toyohiko J.} and Leng Chen and Ping Yang",

note = "Funding Information: This work was supported by a Grant-in-Aid for Scientific Research on Innovative Areas, “Synchronized Long-Period Stacking Ordered Structure”, from the Ministry of Education, Culture, Sports, Science and Technology, Japan (No. 23109001 ) and Fundamental Research Funds for the Central Universities (No. FRF-TP-17-003A1 ). The Mg alloy samples used in the present study were supplied by Kumamoto University. Special thanks to Mr. Y. Hayasaka for technical support at Electron Microscopy Center, Tohoku University, Japan. Publisher Copyright: {\textcopyright} 2017 Acta Materialia Inc.",

year = "2018",

month = mar,

day = "15",

doi = "10.1016/j.scriptamat.2017.11.015",

language = "English",

volume = "146",

pages = "64--67",

journal = "Scripta Materialia",

issn = "1359-6462",

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T1 - On the atomic structure of γ″ phase in Mg-Zn-Gd alloy

AU - Gu, Xin Fu

AU - Furuhara, Tadashi

AU - Kiguchi, Takanori

AU - Konno, Toyohiko J.

AU - Chen, Leng

AU - Yang, Ping

N1 - Funding Information: This work was supported by a Grant-in-Aid for Scientific Research on Innovative Areas, “Synchronized Long-Period Stacking Ordered Structure”, from the Ministry of Education, Culture, Sports, Science and Technology, Japan (No. 23109001 ) and Fundamental Research Funds for the Central Universities (No. FRF-TP-17-003A1 ). The Mg alloy samples used in the present study were supplied by Kumamoto University. Special thanks to Mr. Y. Hayasaka for technical support at Electron Microscopy Center, Tohoku University, Japan. Publisher Copyright: © 2017 Acta Materialia Inc.

PY - 2018/3/15

Y1 - 2018/3/15

N2 - The atomic structure of γ″ phase in an Mg-Zn-Gd alloy has been determined by atomic resolution high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) and first-principles calculation. The γ″ phase has a hexagonal structure with three atomic layers paralleling to basal plane. It is found that the atomic positions in the middle layer are not coincide with HCP structure but shifted 0.9 Å along 〈10-10〉α. Moreover, most previously reported structures are unstable and will converge to present result after atomic relaxation, even though the atomic species and initial positions in the middle layer vary in those models.

AB - The atomic structure of γ″ phase in an Mg-Zn-Gd alloy has been determined by atomic resolution high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) and first-principles calculation. The γ″ phase has a hexagonal structure with three atomic layers paralleling to basal plane. It is found that the atomic positions in the middle layer are not coincide with HCP structure but shifted 0.9 Å along 〈10-10〉α. Moreover, most previously reported structures are unstable and will converge to present result after atomic relaxation, even though the atomic species and initial positions in the middle layer vary in those models.

KW - Crystal structure

KW - First-principles

KW - HAADF-STEM

KW - Magnesium alloy

KW - γ″ Phase

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VL - 146

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EP - 67

JO - Scripta Materialia

JF - Scripta Materialia

SN - 1359-6462

ER -

On the atomic structure of γ″ phase in Mg-Zn-Gd alloy

Abstract

Keywords

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