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Guiding the experimental discovery of magnesium alloys

Publication ,  Journal Article
Taylor, RH; Curtarolo, S; Hart, GLW
Published in: Physical Review B - Condensed Matter and Materials Physics
August 19, 2011

Magnesium alloys are among the lightest structural materials known and are of considerable technological interest. To develop superior magnesium alloys, experimentalists must have a thorough understanding of the concentration- dependent precipitates that form in a given system, and hence, the thermodynamic stability of crystal phases must be determined. This information is often lacking but can be supplied by first-principles methods. Within the high-throughput framework, AFLOW, T=0 K ground-state predictions are made by scanning a large set of known candidate structures for thermodynamic (formation energy) minima. The following 34 systems are investigated: AlMg, AuMg, CaMg, CdMg, CuMg, FeMg, GeMg, HgMg, IrMg, KMg, LaMg, MgMo, MgNa, MgNb, MgOs, MgPb, MgPd, MgPt, MgRb, MgRe, MgRh, MgRu, MgSc, MgSi, MgSn, MgSr, MgTa, MgTc, MgTi, MgV, MgW, MgY, MgZn, and MgZr (= systems in which the ab initio method predicts that no compounds are stable). Avenues for further investigation are clearly revealed by this work. These include stable phases predicted in compound-forming systems as well as phases predicted in systems reported to be non-compound-forming. © 2011 American Physical Society.

Duke Scholars

Published In

Physical Review B - Condensed Matter and Materials Physics

DOI

EISSN

1550-235X

ISSN

1098-0121

Publication Date

August 19, 2011

Volume

84

Issue

8

Related Subject Headings

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

Citation

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ICMJE
MLA
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Taylor, R. H., Curtarolo, S., & Hart, G. L. W. (2011). Guiding the experimental discovery of magnesium alloys. Physical Review B - Condensed Matter and Materials Physics, 84(8). https://doi.org/10.1103/PhysRevB.84.084101
Taylor, R. H., S. Curtarolo, and G. L. W. Hart. “Guiding the experimental discovery of magnesium alloys.” Physical Review B - Condensed Matter and Materials Physics 84, no. 8 (August 19, 2011). https://doi.org/10.1103/PhysRevB.84.084101.
Taylor RH, Curtarolo S, Hart GLW. Guiding the experimental discovery of magnesium alloys. Physical Review B - Condensed Matter and Materials Physics. 2011 Aug 19;84(8).
Taylor, R. H., et al. “Guiding the experimental discovery of magnesium alloys.” Physical Review B - Condensed Matter and Materials Physics, vol. 84, no. 8, Aug. 2011. Scopus, doi:10.1103/PhysRevB.84.084101.
Taylor RH, Curtarolo S, Hart GLW. Guiding the experimental discovery of magnesium alloys. Physical Review B - Condensed Matter and Materials Physics. 2011 Aug 19;84(8).

Published In

Physical Review B - Condensed Matter and Materials Physics

DOI

EISSN

1550-235X

ISSN

1098-0121

Publication Date

August 19, 2011

Volume

84

Issue

8

Related Subject Headings

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