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Size dependent melting mechanisms of iron nanoclusters
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2007 (English)In: Chemical Physics, ISSN 0301-0104, E-ISSN 1873-4421, Vol. 333, no 1, 57-62 p.Article in journal (Refereed)
Abstract [en]

Molecular dynamics simulations were used to study the change in the mechanism of iron cluster melting with increasing cluster size. Melting of smaller clusters (e.g., Fe-55 and Fe-100) occurs over a large temperature interval where the phase of the cluster repeatedly oscillates between liquid and solid. In contrast, larger clusters (e.g., Fe-300) have sharper melting points with surface melting preceding bulk melting. The importance of the simulation time, the force field and the definition of cluster melting is also discussed.

Place, publisher, year, edition, pages
Elsevier BV , 2007. Vol. 333, no 1, 57-62 p.
Keyword [sv]
modelering kolnanorör, Energi och material
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:hb:diva-2304DOI: 10.1016/j.chemphys.2007.01.005Local ID: 2320/2981OAI: oai:DiVA.org:hb-2304DiVA: diva2:870394
Available from: 2015-11-13 Created: 2015-11-13

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