DISSOCIATION OF Au-n (n=3,4) MICROCLUSTERS: A MOLECULAR DYNAMICS SIMULATION


Katircioglu S. , Erkoc S.

MOLECULAR SIMULATION, cilt.4, ss.247-250, 1989 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 4 Konu: 4
  • Basım Tarihi: 1989
  • Doi Numarası: 10.1080/08927028908022367
  • Dergi Adı: MOLECULAR SIMULATION
  • Sayfa Sayıları: ss.247-250

Özet

The dissociation of Au-3 and Au-4 microclusters has been investigated using a molecular-dynamics computer simulation. The potential energy function used in the calculations includes two-and three-body interactions, which are represented by Lennard-Jones and Axilrod-Teller potentials, respectively. It has been found that dissociation starts for both clusters after 3000K.