Atomic-scale investigation of creep behavior in nanocrystalline Mg and Mg-Y alloys

M. A. Bhatia, S. N. Mathaudhu, Kiran Solanki

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

Magnesium (Mg) and its alloys offer great potential for reducing vehicular mass and energy consumption due to their inherently low densities. Historically, widespread applicability has been limited by low strength properties compared to other structural Al-, Ti- and Fe-based alloys. However, recent studies have demonstrated high-specific-strength in a number of nanocrystalline Mg-alloys. Even so, applications of these alloys would be restricted to low-temperature automotive components due to microstructural instability under high temperature creep loading. Hence, this work aims to gain a better understanding of creep and associated deformation behavior of columnar nanocrystalline Mg and Mg-yttrium (Y) (up to 3 at.% Y (10 wt.% Y)) with a grain size of 5 nm and 10 nm. Using molecular dynamics (MD) simulations, nanocrystalline magnesium with and without local concentrations of yttrium is subjected to constant-stress loading ranging from 0 to 500 MPa at different initial temperatures ranging from 473 to 723 K. In pure Mg, the analyses of the diffusion coefficient and energy barrier reveal that at lower temperatures (i.e., T < ∼423 K) the contribution of grain boundary diffusion to the overall creep deformation is stronger that the contribution of lattice diffusion. However, at higher temperatures (T > ∼573 K) lattice diffusion dominates the overall creep behavior. Further, we observe a negligible change (within the fitting error) in the overall secondary creep rate with creep activation energy changing from 1.128 to 1.154 eV for 0 to 3 at.% Y, respectively, indicating that stage two creep activity is insensitive to Y for a given grain size. We also present novel results showing that the (101¯1),(101¯2), (101¯3) and (101¯6) boundary sliding energies are reduced with the addition of yttrium. This softening effect in the presence of yttrium suggests that the experimentally observed high temperature beneficial effects of yttrium addition is likely to be attributed to some combination of other reported creep strengthening mechanisms or phenomena such as formation of stable yttrium oxides at grain boundaries or increased forest dislocation-based hardening.

Original languageEnglish (US)
Pages (from-to)382-391
Number of pages10
JournalActa Materialia
Volume99
DOIs
StatePublished - Oct 15 2015

Fingerprint

Yttrium
Magnesium
Creep
Magnesium alloys
High temperature effects
Nanocrystalline alloys
Temperature
Yttrium oxide
Energy barriers
Dislocations (crystals)
Hardening
Molecular dynamics
Grain boundaries
Energy utilization
Activation energy
Computer simulation

Keywords

  • Creep
  • Grain boundary sliding
  • Magnesium
  • Nanocrystalline
  • Yttrium

ASJC Scopus subject areas

  • Ceramics and Composites
  • Metals and Alloys
  • Polymers and Plastics
  • Electronic, Optical and Magnetic Materials

Cite this

Atomic-scale investigation of creep behavior in nanocrystalline Mg and Mg-Y alloys. / Bhatia, M. A.; Mathaudhu, S. N.; Solanki, Kiran.

In: Acta Materialia, Vol. 99, 15.10.2015, p. 382-391.

Research output: Contribution to journalArticle

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