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Computational study of the thermal behavior of iron clusters on a porous substrate
University of Borås, School of Engineering.
University of Borås, School of Engineering.
2008 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 77, no 11Article in journal (Refereed)
Abstract [en]

The thermal behavior of iron nanoclusters on a porous substrate has been studied using classical molecular dynamics simulations. The substrate has been modeled with a simple Morse potential and pores with different shapes have been modeled in order to mimic the porous substrates used for carbon nanotube growth. It has been confirmed that the presence of the substrate increases the cluster melting temperature compared to the free cluster. In addition, the magnitude of this increase in melting point depends on the existence, shape, and diameter of the pore. For example, the increase in melting point is larger for clusters supported on flat (nonporous) substrates than for clusters which straddle pores with smaller diameters than the cluster diameter.

Place, publisher, year, edition, pages
2008. Vol. 77, no 11
Keyword [sv]
Energi och material
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:hb:diva-3082DOI: 10.1103/PhysRevB.77.115450Local ID: 2320/8002OAI: oai:DiVA.org:hb-3082DiVA: diva2:871178
Available from: 2015-11-13 Created: 2015-11-13

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