DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee, Hyuck Mo | - |
dc.contributor.author | Lee, Sung Hoon | - |
dc.contributor.author | Han, Sang Soo | - |
dc.contributor.author | Kang, Jeung Ku | - |
dc.date.accessioned | 2007-11-29T08:16:00Z | - |
dc.date.available | 2007-11-29T08:16:00Z | - |
dc.date.issued | 2007 | - |
dc.identifier.citation | Materials Science Forum , Vols. 539-543, pp. 3546-3550 | en |
dc.identifier.issn | 0255-5476 | - |
dc.identifier.uri | http://www.scientific.net/0-87849-428-6/3546/ | - |
dc.identifier.uri | http://hdl.handle.net/10203/2234 | - |
dc.description.abstract | The molecular dynamics (MD) simulation employing the embedded atom method (EAM) has been performed to examine the phase stability of Pt nanoclusters, Ptn (n=38, 147, 309 and 561 atoms) with size and temperature. From heating and freezing curves of the nanoclusters, the clusters (Pt147, Pt309 and Pt561) larger than 1 nm in size showed an icosahedral morphology near 460 ~ 660 K during freezing, where the formation energy of the icosahedral phase is 0.051 eV/atom for Pt147, 0.056eV/atom for Pt309 and 0.067 eV/atom for Pt561. We also investigated coalescence between two Pt nanoclusters and observed that the minimum size of the coalescent one is around 1nm at 673 K. | en |
dc.description.sponsorship | This study has been supported by a grant (code #: 04K1501-02210) from ‘Center for Nanostructured Materials Technology’ under ‘21st Century Frontier R&D Programs’ of the Ministry of Science and Technology, Korea. | en |
dc.language.iso | en_US | en |
dc.publisher | Trans Tech Publications | en |
dc.subject | nanomaterial | en |
dc.subject | phase transition | en |
dc.subject | icosahedron | en |
dc.subject | molecular dynamics | en |
dc.title | Molecular Dynamics Simulation on Formation of Icosahedron and Coalescence of Pt Nanoclusters | en |
dc.type | Article | en |
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