Molecular dynamics simulations of nanoparticles Online publication date: Tue, 03-Feb-2009
by Shaun C. Hendy, Dmitri Schebarchov, Aruna Awasthi
International Journal of Nanotechnology (IJNT), Vol. 6, No. 3/4, 2009
Abstract: Nanoparticles are becoming increasingly important in many areas of nanotechnology. Here we use classical molecular dynamics simulations to investigate the competition between surface and volumetric effects in metal nanoparticles. In particular, we review work on the melting of isolated nanoparticles, solid-solid transitions in nanoparticles and the deposition of nanoparticles on substrates. In all these examples the delicate balance between surface and volumetric effects can lead to a complex dependence of behaviour on size, from non-monoticity to more exotic phenomena that have no counterpart in bulk materials. In melting, we find that the nature of the wetting of the solid by the melt is important in determining both the melting temperature and the nature of the melting transition. Furthermore, we find that the preference of the melt to wet certain facets can induce solid-solid transitions in partially melted particles. Finally, we observe a re-entrant adhesion transition in nanoparticle deposition as the collision switches from elastic to plastic and the particle begins to spread on the surface. These examples provide an interesting insight into nanoparticle physics.
Online publication date: Tue, 03-Feb-2009
If you are not a subscriber and you just want to read the full contents of this article, buy online access here.Complimentary Subscribers, Editors or Members of the Editorial Board of the International Journal of Nanotechnology (IJNT):
Login with your Inderscience username and password:
Want to subscribe?
A subscription gives you complete access to all articles in the current issue, as well as to all articles in the previous three years (where applicable). See our Orders page to subscribe.
If you still need assistance, please email email@example.com