Journal article
Ionization-induced fragmentation of small Hg-n clusters: A molecular dynamics study



Publication Details
Authors:
Reichardt, D.; Garcia, M.; Bennemann, K.
Publisher:
WORLD SCIENTIFIC PUBL CO PTE LTD
Publication year:
1996
Journal:
Surface Review and Letters,Surface Review and Letters
Pages range:
567-571
Volume number:
3
Start page:
567
End page:
571
Number of pages:
5
ISSN:
0218-625X

Abstract
The time evolution of small Hg-n clusters immediately after ionization is studied by performing molecular dynamics simulations for different cluster sizes and different initial cluster structures. The potential-energy surface and the forces are determined self-consistently from a microscopic electronic theory, which takes into account the interplay between delocalization of the hole and polarization energy. We study the energy-transfer processes within the cluster and also estimate melting and fragmentation times for some particular cases. The short-time behavior of the kinetic energy, charge and dipole distributions is analyzed. The role of the initial temperature of the clusters is discussed.


Authors/Editors

Last updated on 2019-12-03 at 22:02