Abstract
We have calculated the thermodynamic properties of the ground state of the ordered and disordered phases in the Ni-Al system and a number of complex structures with noncubic symmetry within the framework of the model electron density functional method and the assumed calculation scheme for the multiparticle interatomic interaction potentials. The calculations which were done agree well with experimental data and allow one to explain the rules for alloy formation in this system.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 100–110, April, 1996.
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Tsai, K.V., Kuznetsov, V.M., Kaminskii, P.P. et al. Calculation of the thermodynamic properties of the phases and analysis of their stability for the Ni-Al system in the model functional electron density method. Russ Phys J 39, 375–383 (1996). https://doi.org/10.1007/BF02068062
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DOI: https://doi.org/10.1007/BF02068062