Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis

Hajime Kimizuka; Marco Fronzi; Shigenobu Ogata

doi:10.1016/j.scriptamat.2013.07.003

Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis

Hajime Kimizuka, Marco Fronzi, Shigenobu Ogata

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

47 Citations (Scopus)

Abstract

Using density functional theory, we characterized the in-plane binding between L1₂-type solute clusters in Mg-M-RE (M = Al, Zn; RE = Y, Gd) long-period stacking ordered (LPSO) structures. The difference between the Al and Zn concentrations within the clusters determines whether the intercluster interaction is attractive or repulsive. Incomplete in-plane ordering observed experimentally in Mg-Zn-Y LPSO structures was suggested to be caused by the unlinked nature of the clusters owing to their significant inward contraction.

Original language	English
Pages (from-to)	594-597
Number of pages	4
Journal	Scripta Materialia
Volume	69
Issue number	8
DOIs	https://doi.org/10.1016/j.scriptamat.2013.07.003
Publication status	Published - 2013 Oct
Externally published	Yes

Keywords

Density functional theory
Intercluster interaction
L1-type cluster
LPSO
Magnesium alloys

ASJC Scopus subject areas

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

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10.1016/j.scriptamat.2013.07.003

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title = "Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis",

abstract = "Using density functional theory, we characterized the in-plane binding between L12-type solute clusters in Mg-M-RE (M = Al, Zn; RE = Y, Gd) long-period stacking ordered (LPSO) structures. The difference between the Al and Zn concentrations within the clusters determines whether the intercluster interaction is attractive or repulsive. Incomplete in-plane ordering observed experimentally in Mg-Zn-Y LPSO structures was suggested to be caused by the unlinked nature of the clusters owing to their significant inward contraction.",

keywords = "Density functional theory, Intercluster interaction, L1-type cluster, LPSO, Magnesium alloys",

author = "Hajime Kimizuka and Marco Fronzi and Shigenobu Ogata",

note = "Funding Information: This study was supported by Grants-in-Aid for Scientific Research on Innovative Area, No. 23109004; Young Scientists (A), No. 24686072; Scientific Research (A), No. 23246025; and Challenging Exploratory Research, No. 25630013. We also appreciate the support from the Elements Strategy Initiative for Structural Materials, No. 22656030. ",

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doi = "10.1016/j.scriptamat.2013.07.003",

language = "English",

volume = "69",

pages = "594--597",

journal = "Scripta Materialia",

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T1 - Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures

T2 - A first-principles analysis

AU - Kimizuka, Hajime

AU - Fronzi, Marco

AU - Ogata, Shigenobu

N1 - Funding Information: This study was supported by Grants-in-Aid for Scientific Research on Innovative Area, No. 23109004; Young Scientists (A), No. 24686072; Scientific Research (A), No. 23246025; and Challenging Exploratory Research, No. 25630013. We also appreciate the support from the Elements Strategy Initiative for Structural Materials, No. 22656030.

PY - 2013/10

Y1 - 2013/10

N2 - Using density functional theory, we characterized the in-plane binding between L12-type solute clusters in Mg-M-RE (M = Al, Zn; RE = Y, Gd) long-period stacking ordered (LPSO) structures. The difference between the Al and Zn concentrations within the clusters determines whether the intercluster interaction is attractive or repulsive. Incomplete in-plane ordering observed experimentally in Mg-Zn-Y LPSO structures was suggested to be caused by the unlinked nature of the clusters owing to their significant inward contraction.

AB - Using density functional theory, we characterized the in-plane binding between L12-type solute clusters in Mg-M-RE (M = Al, Zn; RE = Y, Gd) long-period stacking ordered (LPSO) structures. The difference between the Al and Zn concentrations within the clusters determines whether the intercluster interaction is attractive or repulsive. Incomplete in-plane ordering observed experimentally in Mg-Zn-Y LPSO structures was suggested to be caused by the unlinked nature of the clusters owing to their significant inward contraction.

KW - Density functional theory

KW - Intercluster interaction

KW - L1-type cluster

KW - LPSO

KW - Magnesium alloys

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DO - 10.1016/j.scriptamat.2013.07.003

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AN - SCOPUS:84883051726

SN - 1359-6462

VL - 69

SP - 594

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JO - Scripta Materialia

JF - Scripta Materialia

IS - 8

ER -

Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis

Abstract

Keywords

ASJC Scopus subject areas

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