Atomistic Modeling of RuAl and (RuNi) Al Alloys

Atomistic Modeling of RuAl and (RuNi) Al Alloys

Atomistic modeling of RuAl and RuAlNi alloys, using the BFS (Bozzolo-Ferrante-Smith) method for alloys is performed. The lattice parameter and energy of formation of B2 RuAl as a function of stoichiometry and the lattice parameter of (Ru(sub 50-x)Ni(sub x)Al(sub 50)) alloys as a function of Ni conce...

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Bibliographische Detailangaben
Hauptverfasser: Gargano, Pablo, Mosca, Hugo, Bozzolo, Guillermo, Noebe, Ronald D., Gray, Hugh R.
Format: Report
Sprache:eng
Schlagworte:
Metals And Metallic Materials
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Zusammenfassung:Atomistic modeling of RuAl and RuAlNi alloys, using the BFS (Bozzolo-Ferrante-Smith) method for alloys is performed. The lattice parameter and energy of formation of B2 RuAl as a function of stoichiometry and the lattice parameter of (Ru(sub 50-x)Ni(sub x)Al(sub 50)) alloys as a function of Ni concentration are computed. BFS based Monte Carlo simulations indicate that compositions close to Ru25Ni25Al50 are single phase with no obvious evidence of a miscibility gap and separation of the individual B2 phases.