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Lattice dynamics and phase diagram of aluminum at high temperatures

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Abstract

The dispersion of phonons in the fcc, hcp, and bcc phases of aluminum is calculated at ultrahigh pressures by the method of small displacements in a supercell. The stability of the phonon subsystem is studied. The thermodynamic characteristics are calculated in the quasi-harmonic approximation, and a phase diagram of aluminum is plotted. As compared to the Debye model, the use of a phonon spectrum calculated in the quasi-harmonic approximation significantly broadens the hcp phase field and strongly shifts the phase boundary between the fcc and bcc phases. The normal isentrope is calculated at megabar pressures. It is shown to intersect the fcc-hcp and hcp-bcc phase boundaries. The sound velocity along the normal isentrope is calculated. It is shown to have a nonmonotonic character.

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Authors and Affiliations

  1. Sarov State Institute of Physics and Technology, National Research Nuclear University “MEPhI,”, Sarov, 607188, Russia

    Yu. B. Kudasov, O. M. Surdin, A. S. Korshunov & V. N. Pavlov

  2. Russian Federal Nuclear Center-All-Russian Research Institute of Experimental Physics, pr. Mira 37, Sarov, 607188, Russia

    Yu. B. Kudasov, A. S. Korshunov, V. N. Pavlov, N. V. Frolova & R. S. Kuzin

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  1. Yu. B. Kudasov
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  2. O. M. Surdin
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  3. A. S. Korshunov
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  4. V. N. Pavlov
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  5. N. V. Frolova
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  6. R. S. Kuzin
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Correspondence to Yu. B. Kudasov.

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Original Russian Text © Yu.B. Kudasov, O.M. Surdin, A.S. Korshunov, V.N. Pavlov, N.V. Frolova, R.S. Kuzin, 2013, published in Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2013, Vol. 144, No. 4, pp. 765–773.

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Kudasov, Y.B., Surdin, O.M., Korshunov, A.S. et al. Lattice dynamics and phase diagram of aluminum at high temperatures. J. Exp. Theor. Phys. 117, 664–671 (2013). https://doi.org/10.1134/S1063776113100038

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  • DOI: https://doi.org/10.1134/S1063776113100038

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