Aufsatz in einer Fachzeitschrift
Ionization-induced fragmentation of small Hg-n clusters: A molecular dynamics study
Details zur Publikation
Autor(inn)en: | Reichardt, D.; Garcia, M.; Bennemann, K.
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Verlag: | WORLD SCIENTIFIC PUBL CO PTE LTD
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Zeitschrift: | Surface Review and Letters,Surface Review and Letters |
Zusammenfassung, 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.Autor(inn)en / Herausgeber(innen)