dc.contributor.author |
Şerbetçi, A.
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|
dc.contributor.author |
Güvenç, Ziya B.
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|
dc.date.accessioned |
2020-04-18T13:30:49Z |
|
dc.date.available |
2020-04-18T13:30:49Z |
|
dc.date.issued |
2004-11 |
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dc.identifier.citation |
Şerbetçi, A.; Güvenç, Z.B., "Molecular dynamics simulation of the melting behaviour of 12-, 13-, 14-atom icosahedral platinum clusters", Modelling And Simulation In Materials Science And Engineering, Vol.12, No.6, pp.1131-1138, (2004). |
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dc.identifier.issn |
0965-0393 |
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dc.identifier.uri |
http://hdl.handle.net/20.500.12416/3352 |
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dc.description.abstract |
Using the molecular dynamics simulation technique, we have studied the melting behaviour of free, icosahedral Pt-N clusters in the size range of N = 12-14. The Voter and Chen version of an embedded-atom model, derived by fitting to experimental data of both the diatomic molecule and bulk platinum simultaneously, has been employed in this study. We present an atom-resolved analysis method that includes physical quantities such as the root mean square bond-length fluctuation and coordination number for individual atoms as functions of temperature. The results show that while the 13-atom icosahedron and the 12-atom cluster with a vacancy on the icosahedral surface exhibit one-stage melting, the 14-atom cluster with an adatom on the icosahedral surface undergoes two-stage melting, as the temperature increases. |
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dc.language.iso |
eng |
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dc.publisher |
IOP Publishing LTD |
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dc.relation.isversionof |
10.1088/0965-0393/12/6/007 |
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dc.rights |
info:eu-repo/semantics/closedAccess |
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dc.subject |
PT-N |
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dc.subject |
Transition |
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dc.subject |
Metals |
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dc.title |
Molecular dynamics simulation of the melting behaviour of 12-, 13-, 14-atom icosahedral platinum clusters |
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dc.type |
article |
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dc.relation.journal |
Modelling And Simulation In Materials Science And Engineering |
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dc.identifier.volume |
12 |
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dc.identifier.issue |
6 |
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dc.identifier.startpage |
1131 |
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dc.identifier.endpage |
1138 |
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dc.contributor.department |
Çankaya Üniversitesi, Mühendislik Fakültesi, Elektronik ve Haberleşme Mühendisliği Bölümü |
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