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

Katircioglu S., Erkoc S.

MOLECULAR SIMULATION, vol.4, no.4, pp.247-250, 1989 (SCI-Expanded, Scopus) identifier identifier

  • Publication Type: Article / Article
  • Volume: 4 Issue: 4
  • Publication Date: 1989
  • Doi Number: 10.1080/08927028908022367
  • Journal Name: MOLECULAR SIMULATION
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.247-250
  • Middle East Technical University Affiliated: Yes

Abstract

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.