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On the Mechanism of the BCC-HCP Transformations in Small Lennard-Jones Crystals

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Abstract

The structure relaxation of the initially body-centered cubic clusters to the most favorable configurations has shown that the transition to the hexagonal close-packed structure starts at the cluster surface and propagates to the cluster center. The intermediate orthorhombic structure was found and forms in application to helium the regions with delocalized atoms, which are presumably important in connection with the phenomenon of ‘supersolidity’. The time to complete the transition depends on the cluster size and shape.

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Authors and Affiliations

  1. B. Verkin Institute for Low Temperature Physics and Engineering of National Academy of Sciences of Ukraine, Kharkov, 61103, Ukraine

    N. V. Krainyukova

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  1. N. V. Krainyukova
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Correspondence to N. V. Krainyukova.

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Krainyukova, N.V. On the Mechanism of the BCC-HCP Transformations in Small Lennard-Jones Crystals. J Low Temp Phys 150, 317–322 (2008). https://doi.org/10.1007/s10909-007-9547-y

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  • DOI: https://doi.org/10.1007/s10909-007-9547-y

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