Elastic properties of long periodic stacking ordered phases in Mg-Gd-Al alloys: A first-principles study

Hongyeun Kim, William Yi Wang, Shunli Shang, Laszlo J. Kecskes, Kristopher A. Darling, Zi-kui Liu

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Long periodic stacking ordered (LPSO) phases have been reported to enhance the strength and ductility of Mg alloys due to their high elastic properties. In the present work, the effects of atomic arrangements in terms of Gd-Al L12-type clusters on LPSOs' elastic properties in the Mg-Gd-Al system were studied using first-principles calculations. Four types of LPSO phases (10H, 18R, 14H, and 24R) were investigated with and without an interstitial atom in the center of the L12-type clusters. It was observed that the elastic stiffness components of the LPSO phases such as C11, C33 and C66 are closely related to the bonding distances of L12 cluster. Furthermore, the interstitial atom within the L12 cluster plays an important role in affecting the elastic stiffness constants of LPSOs, resulting in an increase of C11 and C33 due to the bonding distances of L12 cluster.

Original languageEnglish (US)
Pages (from-to)18-27
Number of pages10
JournalIntermetallics
Volume98
DOIs
StatePublished - Jul 1 2018

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Stiffness
Atoms
Ductility

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Cite this

Kim, Hongyeun ; Wang, William Yi ; Shang, Shunli ; Kecskes, Laszlo J. ; Darling, Kristopher A. ; Liu, Zi-kui. / Elastic properties of long periodic stacking ordered phases in Mg-Gd-Al alloys : A first-principles study. In: Intermetallics. 2018 ; Vol. 98. pp. 18-27.
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abstract = "Long periodic stacking ordered (LPSO) phases have been reported to enhance the strength and ductility of Mg alloys due to their high elastic properties. In the present work, the effects of atomic arrangements in terms of Gd-Al L12-type clusters on LPSOs' elastic properties in the Mg-Gd-Al system were studied using first-principles calculations. Four types of LPSO phases (10H, 18R, 14H, and 24R) were investigated with and without an interstitial atom in the center of the L12-type clusters. It was observed that the elastic stiffness components of the LPSO phases such as C11, C33 and C66 are closely related to the bonding distances of L12 cluster. Furthermore, the interstitial atom within the L12 cluster plays an important role in affecting the elastic stiffness constants of LPSOs, resulting in an increase of C11 and C33 due to the bonding distances of L12 cluster.",
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Elastic properties of long periodic stacking ordered phases in Mg-Gd-Al alloys : A first-principles study. / Kim, Hongyeun; Wang, William Yi; Shang, Shunli; Kecskes, Laszlo J.; Darling, Kristopher A.; Liu, Zi-kui.

In: Intermetallics, Vol. 98, 01.07.2018, p. 18-27.

Research output: Contribution to journalArticle

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T1 - Elastic properties of long periodic stacking ordered phases in Mg-Gd-Al alloys

T2 - A first-principles study

AU - Kim, Hongyeun

AU - Wang, William Yi

AU - Shang, Shunli

AU - Kecskes, Laszlo J.

AU - Darling, Kristopher A.

AU - Liu, Zi-kui

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AB - Long periodic stacking ordered (LPSO) phases have been reported to enhance the strength and ductility of Mg alloys due to their high elastic properties. In the present work, the effects of atomic arrangements in terms of Gd-Al L12-type clusters on LPSOs' elastic properties in the Mg-Gd-Al system were studied using first-principles calculations. Four types of LPSO phases (10H, 18R, 14H, and 24R) were investigated with and without an interstitial atom in the center of the L12-type clusters. It was observed that the elastic stiffness components of the LPSO phases such as C11, C33 and C66 are closely related to the bonding distances of L12 cluster. Furthermore, the interstitial atom within the L12 cluster plays an important role in affecting the elastic stiffness constants of LPSOs, resulting in an increase of C11 and C33 due to the bonding distances of L12 cluster.

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