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Determination of complete melting and surface premelting pointsof silver nanoparticles by molecular dynamics simulation

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dc.contributor.author Alarifi, H. A.
dc.contributor.author Atis, M.
dc.contributor.author Özdoğan, C.
dc.contributor.author Hu, A.
dc.contributor.author Yavuz, M
dc.contributor.author Zhou, Y
dc.date.accessioned 2020-06-02T07:01:00Z
dc.date.available 2020-06-02T07:01:00Z
dc.date.issued 2013-06-13
dc.identifier.citation Alarifi, H. A...et.al., "Determination of complete melting and surface premelting pointsof silver nanoparticles by molecular dynamics simulation" Journal of Physical Chemistry C, Vol.117, No.23, pp.12289-12298, (2013). tr_TR
dc.identifier.issn 1932-7447
dc.identifier.uri http://hdl.handle.net/20.500.12416/3990
dc.description.abstract A molecular dynamics simulation based on the embedded-atom method was conducted at different sizes of single-crystal Ag nanoparticles (NPs) with diameters of 4 to 20 nm to find complete melting and surface premelting points. Unlike the previous theoretical models, our model can predict both complete melting and surface premelting points for a wider size range of NPs. Programmed heating at an equal rate was applied to all sizes of NPs. Melting kinetics showed three different trends that are, respectively, associated with NPs in the size ranges of 4 to 7 rim, 8 to 10 nm, and 12 to 20 nm. NPs in the first range melted at a single temperature without passing through a surface premelting stage. Melting of the second range started by forming a quasi-liquid layer that expanded to the core, followed by the formation of a liquid layer of 1.8 nm thickness that also subsequently expanded to the core with increasing temperature and completed the melting process. For particles in the third range, the 1.8 nm liquid layer was formed once the thickness of the quasi-liquid layer reached S rim. The liquid layer expanded to the core and formed thicker stable liquid layers as the temperature increased toward the complete melting point. The ratio of the quasi-liquid layer thickness to the NP radius showed a linear relationship with temperature. tr_TR
dc.language.iso eng tr_TR
dc.publisher Amer Chemical Soc tr_TR
dc.relation.isversionof 10.1021/jp311541c tr_TR
dc.rights info:eu-repo/semantics/closedAccess tr_TR
dc.subject Embedded-Atom-Method tr_TR
dc.subject Cubic Metals tr_TR
dc.subject Cu tr_TR
dc.subject Clusters tr_TR
dc.subject Ag tr_TR
dc.subject Temperature tr_TR
dc.subject Transition tr_TR
dc.subject Particles tr_TR
dc.subject Au tr_TR
dc.subject Mechanisms tr_TR
dc.title Determination of complete melting and surface premelting pointsof silver nanoparticles by molecular dynamics simulation tr_TR
dc.type article tr_TR
dc.relation.journal Journal of Physical Chemistry C tr_TR
dc.contributor.authorID 40569 tr_TR
dc.identifier.volume 117 tr_TR
dc.identifier.issue 23 tr_TR
dc.identifier.startpage 12289 tr_TR
dc.identifier.endpage 12298 tr_TR
dc.contributor.department Çankaya Üniversitesi, Mühendislik Fakültesi, Bilgisayar Mühendisliği Bölümü tr_TR


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