Ductility improvement of Mg alloys by solid solution: Ab initio
modeling, synthesis and mechanical properties

J 2014

Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties

SANDLOBES, S; Z PEI; Martin FRIÁK; LF ZHU; F WANG et al.

Základní údaje

Originální název

Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties

Autoři

SANDLOBES, S; Z PEI; Martin FRIÁK; LF ZHU; F WANG; S ZAEFFERER; D RAABE a J NEUGEBAUER

Vydání

ACTA MATERIALIA, OXFORD, PERGAMON-ELSEVIER SCIENCE LTD, 2014, 1359-6454

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Utajení

není předmětem státního či obchodního tajemství

Impakt faktor

Impact factor: 4.465

Označené pro přenos do RIV

DOI

https://doi.org/10.1016/j.actamat.2014.02.011

UT WoS

000335636500009

Klíčová slova anglicky

Magnesium; Rare-earth elements; Ductility; Modeling; Ab initio

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 5. 6. 2014 11:39, Mgr. Martin Friák, Ph.D.

Anotace

V originále

The I-1 intrinsic stacking fault energy (I-1 SFE) serves as an alloy design parameter for ductilizing Mg alloys. In view of this effect we have conducted quantum mechanical calculations for Mg15X solid-solution crystals (X=Dy, Er, Gd, Ho, Lu, Sc, Tb, Tm, Nd, Pr, Be, Ti, Zr, Zn, Tc, Re, Co, Ru, Os, Tl). We find that Y, Sc and all studied lanthanides reduce the I-1 SFE and render hexagonal closed-packed (hcp) and double hcp phases thermodynamically, structurally and elastically similar. Synthesis, experimental testing and characterization of some of the predicted key alloys (Mg-3Ho, Mg-3Er, Mg-3Tb, Mg-3Dy) indeed confirm reduced I-1 SFEs and significantly improved room-temperature ductility by up to 4-5 times relative to pure Mg, a finding that is attributed to the higher activity of non-basal dislocation slip. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Citovat

SANDLOBES, S; Z PEI; Martin FRIÁK; LF ZHU; F WANG; S ZAEFFERER; D RAABE a J NEUGEBAUER. Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties. ACTA MATERIALIA. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2014, roč. 70, s. 92-104. ISSN 1359-6454. Dostupné z: https://doi.org/10.1016/j.actamat.2014.02.011.

@article{1184776,
   author = {Sandlobes, S and Pei, Z and Friák, Martin and Zhu, LF and Wang, F and Zaefferer, S and Raabe, D and Neugebauer, J},
   article_location = {OXFORD},
   doi = {https://doi.org/10.1016/j.actamat.2014.02.011},
   keywords = {Magnesium; Rare-earth elements; Ductility; Modeling; Ab initio},
   language = {eng},
   issn = {1359-6454},
   journal = {ACTA MATERIALIA},
   title = {Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties},
   volume = {70},
   year = {2014}
}

TY  - JOUR
ID  - 1184776
AU  - Sandlobes, S - Pei, Z - Friák, Martin - Zhu, LF - Wang, F - Zaefferer, S - Raabe, D - Neugebauer, J
PY  - 2014
TI  - Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties
JF  - ACTA MATERIALIA
VL  - 70
SP  - 92-104
EP  - 92-104
PB  - PERGAMON-ELSEVIER SCIENCE LTD
SN  - 13596454
KW  - Magnesium
KW  - Rare-earth elements
KW  - Ductility
KW  - Modeling
KW  - Ab initio
N2  - The I-1 intrinsic stacking fault energy (I-1 SFE) serves as an alloy design parameter for ductilizing Mg alloys. In view of this effect we have conducted quantum mechanical calculations for Mg15X solid-solution crystals (X=Dy, Er, Gd, Ho, Lu, Sc, Tb, Tm, Nd, Pr, Be, Ti, Zr, Zn, Tc, Re, Co, Ru, Os, Tl). We find that Y, Sc and all studied lanthanides reduce the I-1 SFE and render hexagonal closed-packed (hcp) and double hcp phases thermodynamically, structurally and elastically similar. Synthesis, experimental testing and characterization of some of the predicted key alloys (Mg-3Ho, Mg-3Er, Mg-3Tb, Mg-3Dy) indeed confirm reduced I-1 SFEs and significantly improved room-temperature ductility by up to 4-5 times relative to pure Mg, a finding that is attributed to the higher activity of non-basal dislocation slip. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
ER  -

SANDLOBES, S; Z PEI; Martin FRIÁK; LF ZHU; F WANG; S ZAEFFERER; D RAABE a J NEUGEBAUER. Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties. \textit{ACTA MATERIALIA}. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2014, roč.~70, s.~92-104. ISSN~1359-6454. Dostupné z: https://doi.org/10.1016/j.actamat.2014.02.011.

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