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dc.contributor.authorWang, N
dc.contributor.authorKomvopoulos, K
dc.date.accessioned2016-02-28T06:32:00Z
dc.date.available2016-02-28T06:32:00Z
dc.date.issued2014-05-16
dc.identifier.citationWang N, Komvopoulos K (2014) The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations. J Phys D: Appl Phys 47: 245303. Available: http://dx.doi.org/10.1088/0022-3727/47/24/245303.
dc.identifier.issn0022-3727
dc.identifier.issn1361-6463
dc.identifier.doi10.1088/0022-3727/47/24/245303
dc.identifier.urihttp://hdl.handle.net/10754/599900
dc.description.abstractThe growth and structure of ultrathin amorphous carbon films was investigated by molecular dynamics simulations. The second-generation reactive-empirical-bond-order potential was used to model atomic interactions. Films with different structures were simulated by varying the deposition energy of carbon atoms in the range of 1-120 eV. Intrinsic film characteristics (e.g. density and internal stress) were determined after the system reached equilibrium. Short- and intermediate-range carbon atom ordering is examined in the context of atomic hybridization and ring connectivity simulation results. It is shown that relatively high deposition energy (i.e., 80 eV) yields a multilayer film structure consisting of an intermixing layer, bulk film and surface layer, consistent with the classical subplantation model. The highest film density (3.3 g cm-3), sp3 fraction (∼43%), and intermediate-range carbon atom ordering correspond to a deposition energy of ∼80 eV, which is in good agreement with experimental findings. © 2014 IOP Publishing Ltd.
dc.description.sponsorshipThis research was funded by the Computer Mechanics Laboratory (CML) and the UCB-KAUST Academic Excellence Alliance (AEA) Program.
dc.publisherIOP Publishing
dc.subjectatomic ordering
dc.subjectdeposition energy
dc.subjectenergetic atoms
dc.subjectgrowth
dc.subjectMolecular dynamics
dc.subjectstructure
dc.subjectultrathin films
dc.titleThe effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations
dc.typeArticle
dc.identifier.journalJournal of Physics D: Applied Physics
dc.contributor.institutionUC Berkeley, Berkeley, United States
kaust.grant.programAcademic Excellence Alliance (AEA)


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