Low-frequency oscillations in nanoclusters of lanthanum trifluoride

We report classical molecular dynamics simulations of clusters of up to 3120 atoms of lanthanum trifluoride. The results are analysed to show the extent to which such small clusters can also be described by simple continuum methods. The oscillations in the shape of the solid nanoclusters agree very...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Philosophical magazine letters 1998-05, Vol.77 (5), p.267-273
Hauptverfasser: Bulatov, V.L., Grimes, R. W., Harker, A. H.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:We report classical molecular dynamics simulations of clusters of up to 3120 atoms of lanthanum trifluoride. The results are analysed to show the extent to which such small clusters can also be described by simple continuum methods. The oscillations in the shape of the solid nanoclusters agree very well in frequency and magnitude with those deduced from classical elasticity theory. The liquiddrop oscillations which are seen in the molecular dynamics simulations show that the simulations reproduce the surface tension behaviour of ionic systems.
ISSN:0950-0839
1362-3036
DOI:10.1080/095008398178417