An atomistic study on the stretching of nanowires

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buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage10854en_US
dc.citation.issueNumber49en_US
dc.citation.spage10843en_US
dc.citation.volumeNumber9en_US
dc.contributor.authorMehrez, H.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.contributor.authorFong, C. Y.en_US
dc.contributor.authorErkoç, Ş.en_US
dc.date.accessioned2016-02-08T10:46:12Z
dc.date.available2016-02-08T10:46:12Z
dc.date.issued1997en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractIn this work we present an atomic-scale investigation of elastic and plastic deformation, and force variations in metal nanowires that are pulled from their ends. The atomic simulations are performed by using a molecular dynamics method with an empirical two-body potential; the effect of the initial size, shape, temperature and rate of stretching on the necking and fracture are investigated. We find that the necking occurs mainly due to the formation of a new layer with a smaller cross-section after every structural yield, and concurrently the tensile force falls abruptly. The relationship between the atomic structure and the conductance of the wire is analysed by constructing a realistic potential for the neck in terms of a linear combination of atomic pseudopotentials and by calculating the conductance using the transfer matrix method. Our results show that the variation of the conductance is strongly correlated with the sudden structural changes in the neck, and reflects the quantization of electronic states in the neck, but not the quantization of the conductance.en_US
dc.description.provenanceMade available in DSpace on 2016-02-08T10:46:12Z (GMT). No. of bitstreams: 1 bilkent-research-paper.pdf: 70227 bytes, checksum: 26e812c6f5156f83f0e77b261a471b5a (MD5) Previous issue date: 1997en
dc.identifier.doi10.1088/0953-8984/9/49/005en_US
dc.identifier.issn0953-8984
dc.identifier.urihttp://hdl.handle.net/11693/25523
dc.language.isoEnglishen_US
dc.relation.isversionofhttp://dx.doi.org/10.1088/0953-8984/9/49/005en_US
dc.source.titleJournal of Physics Condensed Matteren_US
dc.titleAn atomistic study on the stretching of nanowiresen_US
dc.typeArticleen_US

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