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Assessing Mg–Sc–(rare earth) ternary phase stability via constituent binary cluster expansions
Department of Engineering, Harvey Mudd College, Claremont, CA, USA.
Department of Engineering, Harvey Mudd College, Claremont, CA, USA; Department of Physics, Mathematica, and Astronomy, California Institute of Technology, Pasadena, CA, USA.
Jönköping University, School of Engineering, JTH, Materials and Manufacturing. School of Materials Science and Engineering, UNSW Sydney, Sydney, NSW, Australia.
The Boeing Company, Seattle, WA, USA.
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2022 (English)In: Computational materials science, ISSN 0927-0256, E-ISSN 1879-0801, Vol. 207, article id 111240Article in journal (Refereed) Published
Abstract [en]

The disordered Mg–Sc body-centered cubic (bcc) phase is both lightweight and strong; however, the system is impractical for general industrial use due to the high cost of scandium. We propose a computationally efficient metric that assesses ternary rare earth element additions that may stabilize the bcc phase at lower Sc concentrations. We find that the bcc phase is stabilized by the ternary addition of Y or Er, but not by La, Ce, or Nd, and we validate these predictions by experimental production and characterization of Mg–Sc–(Y,Er,Nd) alloys. The results suggest a computationally efficient method to anticipate integration of ternary elements into binary systems using cluster expansions of constituent binaries.

Place, publisher, year, edition, pages
Elsevier, 2022. Vol. 207, article id 111240
Keywords [en]
Magnesium alloys, Neodymium alloys, Rare earth elements, Rare earths, Binary clusters, Body-centered-cubic phase, Cluster expansion, Computationally efficient, High costs, Industrial use, Rare earth metals, Rare-earth metals, Rare-earths, Ternary phasis, Computational efficiency
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:hj:diva-59426DOI: 10.1016/j.commatsci.2022.111240ISI: 000789873900001Scopus ID: 2-s2.0-85125180214Local ID: ;intsam;856519OAI: oai:DiVA.org:hj-59426DiVA, id: diva2:1729849
Available from: 2023-01-23 Created: 2023-01-23 Last updated: 2023-01-23Bibliographically approved

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Conway, Patrick L. J.

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