Abstract
Expressions for the melting point (T m ), freezing temperature (T N < T m ), entropy change per atom (Δs), latent heat (Δh = T m Δs), and volume change (Δv) for the solid-liquid phase transition are derived from a model of a nanocrystal in the form of a parallelepiped with a variable shape of the surface. These quantities are studied as a function of the number of atoms (N) and the shape of the nanoparticle. Calculations carried out for copper nanoparticles show good agreement with the results of computational experiments. It is shown that functions Δs, Δh, and Δv vanish in a certain range of cluster dimension N 0 and a hysteresis between the melting point and freezing temperature disappears, T N (N 0) = T m (N 0). In such a cluster, the phases become physically identical. For nanocopper, this dimension falls into the range N 0 = 49–309 and grows when the shape of the nanoparticle deviates from the energetically most favorable one.
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Original Russian Text © M.N. Magomedov, 2011, published in Zhurnal Tekhnicheskoĭ Fiziki, 2011, Vol. 81, No. 9, pp. 57–62.
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Magomedov, M.N. Melting heat of a nanoparticle. Tech. Phys. 56, 1277–1282 (2011). https://doi.org/10.1134/S106378421109012X
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DOI: https://doi.org/10.1134/S106378421109012X