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On the influence of surface and bulk defects on the thermodynamic and structural characteristics of Al nanoparticles during melting

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Abstract

The Monte Carlo method is used to study the influence of bulk and surface defects (vacancies) on the thermodynamic and structural characteristics of Al nanoclusters. The interactions between atoms are described by the Gupta many-particle potential. It is established that deviations from values of the melting temperature and the specific total surface energy for defect-free nanoparticles are observed in the case of the simulation of bulk and surface defects.

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Authors and Affiliations

  1. Tver State University, Tver, 170002, Russia

    N. Yu. Sdobnyakov, A. Yu. Kolosov, D. N. Sokolov, N. V. Novozhilov, A. S. Mikhailov, A. P. Andriychuk & I. V. Kartashov

Authors
  1. N. Yu. Sdobnyakov
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  2. A. Yu. Kolosov
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  3. D. N. Sokolov
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  4. N. V. Novozhilov
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  5. A. S. Mikhailov
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  6. A. P. Andriychuk
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  7. I. V. Kartashov
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Correspondence to N. Yu. Sdobnyakov.

Additional information

Original Russian Text © N.Yu. Sdobnyakov, A.Yu. Kolosov, D.N. Sokolov, N.V. Novozhilov, A.S. Mikhailov, A.P. Andriychuk, I.V. Kartashov, 2015, published in Poverkhnost’. Rentgenovskie, Sinkhrotronnye i Neitronnye Issledovaniya, 2015, No. 2, pp. 60–68.

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Sdobnyakov, N.Y., Kolosov, A.Y., Sokolov, D.N. et al. On the influence of surface and bulk defects on the thermodynamic and structural characteristics of Al nanoparticles during melting. J. Surf. Investig. 9, 164–171 (2015). https://doi.org/10.1134/S102745101501036X

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  • DOI: https://doi.org/10.1134/S102745101501036X

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