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On the Mechanism of Melting in Simple Metals

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Molecular dynamics simulations of aluminum demonstrate a significant increase in the vibrational entropy of formation of interstitial defects having the dumbbell configuration near the melting point Tm. Using this result and estimating the density of such defects in the melt by three independent methods, the configurational component of the entropy of the system with defects is determined. It is found that about 70% of the total entropy of melting (and, hence, of the heat of fusion) observed in experiments can be attributed to the generation of interstitial dumbbells at T = Tm.

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Notes

  1. We emphasize that this point of view is supported by quite convincing experimental evidence for frozen melts (metallic glasses) [36, 37].

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Funding

This work was supported by the Russian Science Foundation (project no 20-62-46003).

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Authors and Affiliations

  1. Voronezh State Pedagogical University, 394043, Voronezh, Russia

    R. A. Konchakov, A. S. Makarov, A. S. Aronin & V. A. Khonik

  2. Institute of Solid State Physics, Russian Academy of Sciences, 142432, Chernogolovka, Moscow region, Russia

    A. S. Aronin & N. P. Kobelev

Authors
  1. R. A. Konchakov
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  2. A. S. Makarov
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  3. A. S. Aronin
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  4. N. P. Kobelev
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  5. V. A. Khonik
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Correspondence to R. A. Konchakov.

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Translated by K. Kugel

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Konchakov, R.A., Makarov, A.S., Aronin, A.S. et al. On the Mechanism of Melting in Simple Metals. Jetp Lett. 113, 345–351 (2021). https://doi.org/10.1134/S0021364021050064

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  • DOI: https://doi.org/10.1134/S0021364021050064

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