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2022 (engelsk)Inngår i: Computational materials science, ISSN 0927-0256, E-ISSN 1879-0801, Vol. 207, artikkel-id 111240Artikkel i tidsskrift (Fagfellevurdert) 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.
sted, utgiver, år, opplag, sider
Elsevier, 2022
Emneord
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
HSV kategori
Identifikatorer
urn:nbn:se:hj:diva-59426 (URN)10.1016/j.commatsci.2022.111240 (DOI)000789873900001 ()2-s2.0-85125180214 (Scopus ID);intsam;856519 (Lokal ID);intsam;856519 (Arkivnummer);intsam;856519 (OAI)
2023-01-232023-01-232023-01-23bibliografisk kontrollert