We have briefly discussed the ASRO (atomic short-range order) in AuFe and CuAuZn{sub 2}. General points are that (1) we have implemented a first-principles theory of ASRO in N-component alloys which allows determination of the electronic origins of said ASRO; (2) such calculations can provide much information on the high- and (sometimes) low-temperature alloys; and (3) this approach has identified the origin for the novel special-point ASRO in AuFe. Displacement effects, i.e., non-rigid lattice effects, as well as the other contributions beyond band-energy, are being incorporated into the multicomponent alloy calculations. Such improvements will allow us to investigate other alloys, …
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We have briefly discussed the ASRO (atomic short-range order) in AuFe and CuAuZn{sub 2}. General points are that (1) we have implemented a first-principles theory of ASRO in N-component alloys which allows determination of the electronic origins of said ASRO; (2) such calculations can provide much information on the high- and (sometimes) low-temperature alloys; and (3) this approach has identified the origin for the novel special-point ASRO in AuFe. Displacement effects, i.e., non-rigid lattice effects, as well as the other contributions beyond band-energy, are being incorporated into the multicomponent alloy calculations. Such improvements will allow us to investigate other alloys, where charge effects may play a role, to ``design`, for example, higher temperature intermetallics through alloying.
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Johnson, D. D.; Althoff, J. D.; Staunton, J. B.; Ling, M. F. & Pinski, F. J.Competing mechanisms for ordering tendencies in BCC CuAuZn{sub 2} and FCC AuFe alloys,
article,
July 1, 1995;
Livermore, California.
(https://digital.library.unt.edu/ark:/67531/metadc794095/:
accessed April 19, 2024),
University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu;
crediting UNT Libraries Government Documents Department.
