Skip to main content

Ordered magnesium-lithium alloys: First-principles predictions

Publication ,  Journal Article
Taylor, RH; Curtarolo, S; Hart, GLW
Published in: Physical Review B - Condensed Matter and Materials Physics
January 26, 2010

Magnesium-lithium (Mg-Li) alloys are among the lightest structural materials. Although considerable work has been done on the Mg-Li system, little is known regarding potential ordered phases. A first and rapid analysis of the system with the high-throughput method reveals an unexpected wealth of potentially stable low-temperature phases. Subsequent cluster expansions constructed for bcc and hcp superstructures extend the analysis and verify our high-throughput results. Of particular interest are those structures with greater than 13 at.% lithium, as they exhibit either partial or complete formation as a cubic structure. Order-disorder transition temperatures are predicted by Monte Carlo simulations to be in the range 200-500 K. © 2010 The American Physical Society.

Duke Scholars

Altmetric Attention Stats
Dimensions Citation Stats

Published In

Physical Review B - Condensed Matter and Materials Physics

DOI

EISSN

1550-235X

ISSN

1098-0121

Publication Date

January 26, 2010

Volume

81

Issue

2

Related Subject Headings

  • Fluids & Plasmas
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Taylor, R. H., Curtarolo, S., & Hart, G. L. W. (2010). Ordered magnesium-lithium alloys: First-principles predictions. Physical Review B - Condensed Matter and Materials Physics, 81(2). https://doi.org/10.1103/PhysRevB.81.024112
Taylor, R. H., S. Curtarolo, and G. L. W. Hart. “Ordered magnesium-lithium alloys: First-principles predictions.” Physical Review B - Condensed Matter and Materials Physics 81, no. 2 (January 26, 2010). https://doi.org/10.1103/PhysRevB.81.024112.
Taylor RH, Curtarolo S, Hart GLW. Ordered magnesium-lithium alloys: First-principles predictions. Physical Review B - Condensed Matter and Materials Physics. 2010 Jan 26;81(2).
Taylor, R. H., et al. “Ordered magnesium-lithium alloys: First-principles predictions.” Physical Review B - Condensed Matter and Materials Physics, vol. 81, no. 2, Jan. 2010. Scopus, doi:10.1103/PhysRevB.81.024112.
Taylor RH, Curtarolo S, Hart GLW. Ordered magnesium-lithium alloys: First-principles predictions. Physical Review B - Condensed Matter and Materials Physics. 2010 Jan 26;81(2).

Published In

Physical Review B - Condensed Matter and Materials Physics

DOI

EISSN

1550-235X

ISSN

1098-0121

Publication Date

January 26, 2010

Volume

81

Issue

2

Related Subject Headings

  • Fluids & Plasmas
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences