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Thermal Stability of Micro-Clusters

  • S. Shimamura

Abstract

Anharmonic vibrations of atoms in a micro-cluster are theoretically studied by using the self-consistent phonon formalism. Atoms are assumed to interact on each other through a pairwise interatomic potential. The free energy of a cluster is minimized by using a model reference system in which a central atom is vibrating with a frequency ω0 and the surrounding atoms with ω1. We investigate the thermal softening of atomic vibrations, the thermal expansion and the vibrational instability for different micro-clusters. As for N=13 clusters, Cuboctahedron becomes instable at lower temperature than Icosahedron. The thermal stability of micro-clusters is discussed in terms of the instability temperature.

Keywords

Free Energy Central Atom Instability Temperature Thermal Softening Atomic Vibration 
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Copyright information

© Plenum Press, New York 1987

Authors and Affiliations

  • S. Shimamura
    • 1
  1. 1.Department of Applied Science, Faculty of EngineeringYamaguchi UniversityUbe 755Japan

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