Abstract
Using a model electron-density functional the authors proposed earlier, calculations are performed for the ground state of alloys of the system Ni-Al to obtain characteristics such as mixing and ordering energies, equilibrium volumes per atom, and equilibrium charge transfers. The calculated results agree well with experimental data and make it possible to explain laws governing the formation of alloys of this system.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 36–41, December, 1986.
We thank E. G. Maksimov for his useful discussion of the results of our study and several valuable observations that were contributed.
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Kaminskii, P.P., Kuznetsov, V.M. Calculation of the mixing energy of alloys by the method of a model electron-density functional. Ni-Al system. Soviet Physics Journal 29, 982–986 (1986). https://doi.org/10.1007/BF00895999
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DOI: https://doi.org/10.1007/BF00895999