About: Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties     Goto   Sponge   NotDistinct   Permalink

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  • 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.
  • 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. (en)
Title
  • Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties
  • Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties (en)
skos:prefLabel
  • Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties
  • Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties (en)
skos:notation
  • RIV/68081723:_____/14:00435453!RIV15-AV0-68081723
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  • 12495
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  • RIV/68081723:_____/14:00435453
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  • Magnesium; Rare-earth elements; Ductility; Modeling; Ab initio (en)
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  • GB - Spojené království Velké Británie a Severního Irska
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  • Acta Materialia
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  • 70
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  • Friák, Martin
  • Neugebauer, J.
  • Raabe, D.
  • Pei, Z.
  • Sandlöbes, S.
  • Wang, F.
  • Zaefferer, S.
  • Zhu, L.-F.
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  • 000335636500009
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  • 1359-6454
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  • 10.1016/j.actamat.2014.02.011
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