The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations

Handle URI:
http://hdl.handle.net/10754/599900
Title:
The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations
Authors:
Wang, N; Komvopoulos, K
Abstract:
The 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.
Citation:
Wang 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.
Publisher:
IOP Publishing
Journal:
Journal of Physics D: Applied Physics
Issue Date:
16-May-2014
DOI:
10.1088/0022-3727/47/24/245303
Type:
Article
ISSN:
0022-3727; 1361-6463
Sponsors:
This research was funded by the Computer Mechanics Laboratory (CML) and the UCB-KAUST Academic Excellence Alliance (AEA) Program.
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorWang, Nen
dc.contributor.authorKomvopoulos, Ken
dc.date.accessioned2016-02-28T06:32:00Zen
dc.date.available2016-02-28T06:32:00Zen
dc.date.issued2014-05-16en
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.en
dc.identifier.issn0022-3727en
dc.identifier.issn1361-6463en
dc.identifier.doi10.1088/0022-3727/47/24/245303en
dc.identifier.urihttp://hdl.handle.net/10754/599900en
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.en
dc.description.sponsorshipThis research was funded by the Computer Mechanics Laboratory (CML) and the UCB-KAUST Academic Excellence Alliance (AEA) Program.en
dc.publisherIOP Publishingen
dc.subjectatomic orderingen
dc.subjectdeposition energyen
dc.subjectenergetic atomsen
dc.subjectgrowthen
dc.subjectMolecular dynamicsen
dc.subjectstructureen
dc.subjectultrathin filmsen
dc.titleThe effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulationsen
dc.typeArticleen
dc.identifier.journalJournal of Physics D: Applied Physicsen
dc.contributor.institutionUC Berkeley, Berkeley, United Statesen
kaust.grant.programAcademic Excellence Alliance (AEA)en
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