Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects

Z.-H. Jin; J. Han; X. M. Su; Y. T. Zhu

doi:10.1002/9781118062142.ch15

Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects

Z.-H. Jin, J. Han, X. M. Su, Y. T. Zhu

Research output: Chapters, Conference Papers, Creative and Literary Works › RGC 32 - Refereed conference paper (with host publication) › peer-review

1 Citation (Scopus)

Abstract

Alloying effects due to Li and Al were examined in terms of generalized stacking-fault energies (GSFEs) associated with basal planes of hexagonal-close-packed (hcp) Mg. The GSFEs were obtained using first-principles technique in combination with climbing-image nudged elastic band methods. Our results show that Li-alloying can facilitate dislocation-mediated process while sequential faulting across basal planes becomes favorable with Al-alloying. Such difference is attributed to that the two alloying elements tend to form different types of bond critical points in Mg.

Original language	English
Title of host publication	Supplemental Proceedings
Subtitle of host publication	Volume 2: Materials Fabrication, Properties, Characterization, and Modeling
Place of Publication	Hoboken, NJ
Publisher	John Wiley & Sons
Pages	121-128
ISBN (Electronic)	9781118062142
ISBN (Print)	9781118029466
DOIs	https://doi.org/10.1002/9781118062142.ch15
Publication status	Published - Feb 2011
Externally published	Yes
Event	140th Annual Meeting and Exhibition (TMS 2011) - San Diego, CA, United States Duration: 27 Feb 2011 → 3 Mar 2011

Conference

Conference	140th Annual Meeting and Exhibition (TMS 2011)
Place	United States
City	San Diego, CA
Period	27/02/11 → 3/03/11

Research Keywords

Electronic structure
First-principles calculations
Generalized stacking-fault energies
Magnesium alloys

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@inproceedings{7ba73b8b463c48c685fd6dcf15113fa0,

title = "Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects",

abstract = "Alloying effects due to Li and Al were examined in terms of generalized stacking-fault energies (GSFEs) associated with basal planes of hexagonal-close-packed (hcp) Mg. The GSFEs were obtained using first-principles technique in combination with climbing-image nudged elastic band methods. Our results show that Li-alloying can facilitate dislocation-mediated process while sequential faulting across basal planes becomes favorable with Al-alloying. Such difference is attributed to that the two alloying elements tend to form different types of bond critical points in Mg.",

keywords = "Electronic structure, First-principles calculations, Generalized stacking-fault energies, Magnesium alloys, Electronic structure, First-principles calculations, Generalized stacking-fault energies, Magnesium alloys, Electronic structure, First-principles calculations, Generalized stacking-fault energies, Magnesium alloys",

author = "Z.-H. Jin and J. Han and Su, {X. M.} and Zhu, {Y. T.}",

year = "2011",

month = feb,

doi = "10.1002/9781118062142.ch15",

language = "English",

isbn = "9781118029466",

pages = "121--128",

booktitle = "Supplemental Proceedings",

publisher = "John Wiley & Sons",

address = "United States",

note = "140th Annual Meeting and Exhibition (TMS 2011) ; Conference date: 27-02-2011 Through 03-03-2011",

}

Jin, Z-H, Han, J, Su, XM & Zhu, YT 2011, Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects. in Supplemental Proceedings: Volume 2: Materials Fabrication, Properties, Characterization, and Modeling. John Wiley & Sons, Hoboken, NJ, pp. 121-128, 140th Annual Meeting and Exhibition (TMS 2011), San Diego, CA, United States, 27/02/11. https://doi.org/10.1002/9781118062142.ch15

Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects. / Jin, Z.-H.; Han, J.; Su, X. M. et al.
Supplemental Proceedings: Volume 2: Materials Fabrication, Properties, Characterization, and Modeling. Hoboken, NJ: John Wiley & Sons, 2011. p. 121-128.

Research output: Chapters, Conference Papers, Creative and Literary Works › RGC 32 - Refereed conference paper (with host publication) › peer-review

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T1 - Basal-plane stacking-fault energies of Mg

T2 - 140th Annual Meeting and Exhibition (TMS 2011)

AU - Jin, Z.-H.

AU - Han, J.

AU - Su, X. M.

AU - Zhu, Y. T.

PY - 2011/2

Y1 - 2011/2

N2 - Alloying effects due to Li and Al were examined in terms of generalized stacking-fault energies (GSFEs) associated with basal planes of hexagonal-close-packed (hcp) Mg. The GSFEs were obtained using first-principles technique in combination with climbing-image nudged elastic band methods. Our results show that Li-alloying can facilitate dislocation-mediated process while sequential faulting across basal planes becomes favorable with Al-alloying. Such difference is attributed to that the two alloying elements tend to form different types of bond critical points in Mg.

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KW - First-principles calculations

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KW - Electronic structure

KW - First-principles calculations

KW - Generalized stacking-fault energies

KW - Magnesium alloys

KW - Electronic structure

KW - First-principles calculations

KW - Generalized stacking-fault energies

KW - Magnesium alloys

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ER -

Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects

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