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Stability of relaxed Lennard-Jones models made of 500 to 6000 atoms

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Small Particles and Inorganic Clusters
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Abstract

We present a study of the stability of clusters models made of a number N of atoms in the range 500 to 6000 atoms, freely interacting through the Lennard-Jones potential. The potential energy per atom, calculated for relaxed models, shows that stable models belong to an icosahedral sequence when N <1600 and to a decahedral sequence beyond. A coexistence size range of both structures is discussed in connection with experimental results on argon clusters in free jet expansions.

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© 1989 Springer-Verlag

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Raoult, B., Farges, J., De Feraudy, M.F., Torchet, G. (1989). Stability of relaxed Lennard-Jones models made of 500 to 6000 atoms. In: Chapon, C., Gillet, M.F., Henry, C.R. (eds) Small Particles and Inorganic Clusters. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-74913-1_19

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  • DOI: https://doi.org/10.1007/978-3-642-74913-1_19

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-74915-5

  • Online ISBN: 978-3-642-74913-1

  • eBook Packages: Springer Book Archive

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