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José de San Martín, Argentina

Mosca H.O.,Gcia. Investigacion y Aplicaciones | Bozzolo G.,Loyola University Maryland | Del Grosso M.F.,Gcia. Investigacion y Aplicaciones | Del Grosso M.F.,CONICET
Physica B: Condensed Matter | Year: 2012

The behavior of ternary and quaternary additions to NiTi shape memory alloys is investigated using a quantum approximate method for the energetics. Ternary additions X to NiTi and quaternary additions to Ni-Ti-Pd, Ni-Ti-Pt, and Ni-Ti-Hf alloys, for X=Au, Pt, Ir, Os, Re, W, Ta,Ag, Pd, Rh, Ru, Tc, Mo, Nb, Zr, Zn, Cu, Co, Fe, Mn, V, Sc, Si, Al and Mg are considered. Bulk properties such as lattice parameter, energy of formation, and bulk modulus of the B2 alloys are studied for variations due to the presence of one or two simultaneous additives. © 2011 Elsevier B.V. All rights reserved. Source


Del Grosso M.F.,Gcia. Investigacion y Aplicaciones | Del Grosso M.F.,CONICET | Bozzolo G.,Loyola University Maryland | Mosca H.O.,Gcia. Investigacion y Aplicaciones
Physica B: Condensed Matter | Year: 2012

Reverting the traditional process of developing new alloys based on one or two single elements with minority additions, the study of high entropy alloys (HEA) (equimolar combinations of many elements) has become a relevant and interesting new field of research due to their tendency to form solid solutions with particular properties in the absence of intermetallic phases. Theoretical or modeling studies at the atomic level on specific HEA, describing the formation, structure, and properties of these alloys are limited due to the large number of constituents involved. In this work we focus on HEA with refractory elements showing atomistic modeling results for W-Nb-Mo-Ta and W-Nb-Mo-Ta-V HEA, for which experimental background exists. An atomistic modeling approach is applied for the determination of the role of each element and identification of the interactions and features responsible for the transition to the high entropy regime. Results for equimolar alloys of 4 and 5 refractory elements, for which experimental results exist, are shown. A straightforward algorithm is introduced to interpret the transition to the high entropy regime. © 2011 Elsevier B.V. All rights reserved. Source

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