Atomistic modeling of Ru–Al–Ta alloys

Atomistic modeling of Ru–Al–Ta alloys

Atomistic modeling of Ru–Al–Ta alloys was used to determine the energetics of ordered structures in this ternary system, providing insight to the formation of the recently discovered L2 1Ru 2AlTa Heusler phase, as well as other ordered structures in the Ru–Al–Ta system.

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Veröffentlicht in:Scripta materialia 2005-04, Vol.52 (7), p.663-668
Hauptverfasser: Gargano, Pablo, Mosca, Hugo, Bozzolo, Guillermo
Format: Artikel
Sprache:eng
Schlagworte:
Applied sciences
Computational modeling
Exact sciences and technology
Heusler alloys
Intermetallic compounds
Metals. Metallurgy
Ruthenium aluminides
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Zusammenfassung:Atomistic modeling of Ru–Al–Ta alloys was used to determine the energetics of ordered structures in this ternary system, providing insight to the formation of the recently discovered L2 1Ru 2AlTa Heusler phase, as well as other ordered structures in the Ru–Al–Ta system.
ISSN:1359-6462
1872-8456
DOI:10.1016/j.scriptamat.2004.11.028