Abstract
Isothermal molecular dynamics is used to find the magic numbers corresponding to clusters of fcc transition metals: silver and copper. To that end, we use both our own computer program with a tight-binding potential and well-known LAMMPS software whose standard package is designed to model metal systems by the embedded atom method. Regardless of the choice between two relaxation techniques (lowtemperature relaxation at 1 K and the variant involving a gradual temperature decrease with subsequent relaxation at 1 K), magic number 13 is detected that corresponds to the first term of the Chini series. At the same time, other magic numbers are also found that belong and do not belong to this series.
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Original Russian Text © 2017 V. M. Samsonov, S. A. Vasilyev, M. V. Samsonov, A. G. Bembel, A. V. Belotserkovskii, D. I. Rybakov.
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Samsonov, V.M., Vasilyev, S.A., Samsonov, M.V. et al. Molecular dynamics search for magic numbers for silver and copper clusters. J Struct Chem 58, 1377–1382 (2017). https://doi.org/10.1134/S0022476617070149
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DOI: https://doi.org/10.1134/S0022476617070149