Dergiler / Turkish Journal of Physics / 1999 / Cilt: 23 - Sayı: 3
Energetics of Spherical Clusters
- Sayfa
- 517–524
- DOI
- —
Özet
The energetics of spherical clusters of elements Fe in bcc, Ca and Pb in fcc, and C in diamond structure have been investigated by using emprical many-body potential energy function which contains two- and three-body inteactions. In the variation of average interaction energy per atom (Eb) versus cluster size (Nsh; number of shells) only carbon clusters have magic numbers at 5, 8, 11 and 14 shells. Eb versus Nsh becomes smooth after 15 shells for carbon, however this variation becomes smooth for the other elements after 10 shells. The variation of two-body to three-body interaction energy versus cluster size becomes almost constant after 10 shells for all elements considered. Energetic cluster size effect has been also investigated for the elements considered.
Abstract
The energetics of spherical clusters of elements Fe in bcc, Ca and Pb in fcc, and C in diamond structure have been investigated by using emprical many-body potential energy function which contains two- and three-body inteactions. In the variation of average interaction energy per atom (Eb) versus cluster size (Nsh; number of shells) only carbon clusters have magic numbers at 5, 8, 11 and 14 shells. Eb versus Nsh becomes smooth after 15 shells for carbon, however this variation becomes smooth for the other elements after 10 shells. The variation of two-body to three-body interaction energy versus cluster size becomes almost constant after 10 shells for all elements considered. Energetic cluster size effect has been also investigated for the elements considered.