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 |
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.
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.
